2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide

C118H116N26O18S10 — CID 159025205

IUPAC2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)CC1.CC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)C1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCCN5CCNC5=O)cc4c3n2)c1
InChIInChI=1S/2C24H23N5O4S2.C24H25N5O3S2.C23H22N6O4S2.C23H23N5O3S2/c1-15(30)28-8-10-29(11-9-28)23(31)21-13-19-20(34-21)7-6-16-14-25-24(27-22(16)19)26-17-4-3-5-18(12-17)35(2,32)33;1-14(30)26-17-8-9-29(13-17)23(31)21-11-19-20(34-21)7-6-15-12-25-24(28-22(15)19)27-16-4-3-5-18(10-16)35(2,32)33;1-34(31,32)18-4-2-3-17(11-18)28-24-27-14-16-5-6-20-19(22(16)29-24)12-21(33-20)23(30)26-13-15-7-9-25-10-8-15;1-35(32,33)16-4-2-3-15(11-16)27-22-26-13-14-5-6-18-17(20(14)28-22)12-19(34-18)21(30)24-7-9-29-10-8-25-23(29)31;1-33(30,31)17-4-2-3-16(9-17)27-23-26-13-15-5-6-19-18(21(15)28-23)10-20(32-19)22(29)25-12-14-7-8-24-11-14/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27);3-7,10-12,17H,8-9,13H2,1-2H3,(H,26,30)(H,25,27,28);2-6,11-12,14-15,25H,7-10,13H2,1H3,(H,26,30)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H,24,30)(H,25,31)(H,26,27,28);2-6,9-10,13-14,24H,7-8,11-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyJUESJEQSCMEZQS-UHFFFAOYSA-N
MW2507.06 g/mol
LogP16.44
Rot. Bonds28

About 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide

2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 159025205) has the molecular formula C118H116N26O18S10 and a molecular weight of 2507.06 g/mol. Its IUPAC name is 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID159025205
Molecular FormulaC118H116N26O18S10
Molecular Weight2507.06 g/mol
Exact Mass2504.62
IUPAC Name2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)CC1.CC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)C1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCCN5CCNC5=O)cc4c3n2)c1
InChIInChI=1S/2C24H23N5O4S2.C24H25N5O3S2.C23H22N6O4S2.C23H23N5O3S2/c1-15(30)28-8-10-29(11-9-28)23(31)21-13-19-20(34-21)7-6-16-14-25-24(27-22(16)19)26-17-4-3-5-18(12-17)35(2,32)33;1-14(30)26-17-8-9-29(13-17)23(31)21-11-19-20(34-21)7-6-15-12-25-24(28-22(15)19)27-16-4-3-5-18(10-16)35(2,32)33;1-34(31,32)18-4-2-3-17(11-18)28-24-27-14-16-5-6-20-19(22(16)29-24)12-21(33-20)23(30)26-13-15-7-9-25-10-8-15;1-35(32,33)16-4-2-3-15(11-16)27-22-26-13-14-5-6-18-17(20(14)28-22)12-19(34-18)21(30)24-7-9-29-10-8-25-23(29)31;1-33(30,31)17-4-2-3-16(9-17)27-23-26-13-15-5-6-19-18(21(15)28-23)10-20(32-19)22(29)25-12-14-7-8-24-11-14/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27);3-7,10-12,17H,8-9,13H2,1-2H3,(H,26,30)(H,25,27,28);2-6,11-12,14-15,25H,7-10,13H2,1H3,(H,26,30)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H,24,30)(H,25,31)(H,26,27,28);2-6,9-10,13-14,24H,7-8,11-12H2,1H3,(H,25,29)(H,26,27,28)
InChIKeyJUESJEQSCMEZQS-UHFFFAOYSA-N
XLogP16.44
TPSA593.48 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002507.06
LogP ≤ 516.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide with MolForge

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Related Compounds

3-[[8-(4-Methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262631
3-[[8-(4-Acetylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262641
3-[[8-(4-Aminopiperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262643
N-methyl-2-(3-methylsulfonylanilino)-N-propan-2-ylthieno[2,3-h]quinazoline-8-carboxamide
CID 59262646
3-[[8-(Piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262654
2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide
CID 59262681
N-[2-(dimethylamino)ethyl]-N-ethyl-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 59262709
N-(2-acetamidoethyl)-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 59262712
(3,5-Dimethylpiperazin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262716
N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide
CID 59262743
1-[4-[2-(3-Methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 59262748
(4-Methylpiperazin-1-yl)-[4-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanone
CID 59262771

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide (CID 159025205) is 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)N1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)CC1.CC(=O)NC1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(C)(=O)=O)c5)nc43)s2)C1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCC5CCNCC5)cc4c3n2)c1.CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)NCCN5CCNC5=O)cc4c3n2)c1.
What is the InChIKey of 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is JUESJEQSCMEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H23N5O4S2.C24H25N5O3S2.C23H22N6O4S2.C23H23N5O3S2/c1-15(30)28-8-10-29(11-9-28)23(31)21-13-19-20(34-21)7-6-16-14-25-24(27-22(16)19)26-17-4-3-5-18(12-17)35(2,32)33;1-14(30)26-17-8-9-29(13-17)23(31)21-11-19-20(34-21)7-6-15-12-25-24(28-22(15)19)27-16-4-3-5-18(10-16)35(2,32)33;1-34(31,32)18-4-2-3-17(11-18)28-24-27-14-16-5-6-20-19(22(16)29-24)12-21(33-20)23(30)26-13-15-7-9-25-10-8-15;1-35(32,33)16-4-2-3-15(11-16)27-22-26-13-14-5-6-18-17(20(14)28-22)12-19(34-18)21(30)24-7-9-29-10-8-25-23(29)31;1-33(30,31)17-4-2-3-16(9-17)27-23-26-13-15-5-6-19-18(21(15)28-23)10-20(32-19)22(29)25-12-14-7-8-24-11-14/h3-7,12-14H,8-11H2,1-2H3,(H,25,26,27);3-7,10-12,17H,8-9,13H2,1-2H3,(H,26,30)(H,25,27,28);2-6,11-12,14-15,25H,7-10,13H2,1H3,(H,26,30)(H,27,28,29);2-6,11-13H,7-10H2,1H3,(H,24,30)(H,25,31)(H,26,27,28);2-6,9-10,13-14,24H,7-8,11-12H2,1H3,(H,25,29)(H,26,27,28).
What are the key properties of 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide?
2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 2507.06 g/mol, XLogP of 16.44, 28 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(piperidin-4-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;2-(3-methylsulfonylanilino)-N-(pyrrolidin-3-ylmethyl)thieno[2,3-h]quinazoline-8-carboxamide;1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazin-1-yl]ethanone;N-[1-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 159025205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).