N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

C108H112N30O17S10 — CID 157460952

IUPACN-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN(C)CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.CN(CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1)C(=O)OC(C)(C)C.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CNCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.NCCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C25H28N6O5S2.C22H22N6O3S2.C21H22N6O3S2.2C20H20N6O3S2/c1-25(2,3)36-24(33)31(4)11-10-27-22(32)20-13-18-19(37-20)9-8-15-14-28-23(30-21(15)18)29-16-6-5-7-17(12-16)38(26,34)35;1-27-7-9-28(10-8-27)21(29)19-12-17-18(32-19)6-5-14-13-24-22(26-20(14)17)25-15-3-2-4-16(11-15)33(23,30)31;1-27(2)9-8-23-20(28)18-11-16-17(31-18)7-6-13-12-24-21(26-19(13)16)25-14-4-3-5-15(10-14)32(22,29)30;1-22-7-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-2-4-14(9-13)31(21,28)29;21-7-2-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-1-4-14(9-13)31(22,28)29/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H2,26,34,35)(H,28,29,30);2-6,11-13H,7-10H2,1H3,(H2,23,30,31)(H,24,25,26);3-7,10-12H,8-9H2,1-2H3,(H,23,28)(H2,22,29,30)(H,24,25,26);2-6,9-11,22H,7-8H2,1H3,(H,23,27)(H2,21,28,29)(H,24,25,26);1,3-6,9-11H,2,7-8,21H2,(H,23,27)(H2,22,28,29)(H,24,25,26)
InChIKeyBTXKYPXNNBSCFY-UHFFFAOYSA-N
MW2422.95 g/mol
LogP13.48
Rot. Bonds32

About N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide

N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 157460952) has the molecular formula C108H112N30O17S10 and a molecular weight of 2422.95 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID157460952
Molecular FormulaC108H112N30O17S10
Molecular Weight2422.95 g/mol
Exact Mass2420.60
IUPAC NameN-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
SMILESCN(C)CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.CN(CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1)C(=O)OC(C)(C)C.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CNCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.NCCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C25H28N6O5S2.C22H22N6O3S2.C21H22N6O3S2.2C20H20N6O3S2/c1-25(2,3)36-24(33)31(4)11-10-27-22(32)20-13-18-19(37-20)9-8-15-14-28-23(30-21(15)18)29-16-6-5-7-17(12-16)38(26,34)35;1-27-7-9-28(10-8-27)21(29)19-12-17-18(32-19)6-5-14-13-24-22(26-20(14)17)25-15-3-2-4-16(11-15)33(23,30)31;1-27(2)9-8-23-20(28)18-11-16-17(31-18)7-6-13-12-24-21(26-19(13)16)25-14-4-3-5-15(10-14)32(22,29)30;1-22-7-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-2-4-14(9-13)31(21,28)29;21-7-2-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-1-4-14(9-13)31(22,28)29/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H2,26,34,35)(H,28,29,30);2-6,11-13H,7-10H2,1H3,(H2,23,30,31)(H,24,25,26);3-7,10-12H,8-9H2,1-2H3,(H,23,28)(H2,22,29,30)(H,24,25,26);2-6,9-11,22H,7-8H2,1H3,(H,23,27)(H2,21,28,29)(H,24,25,26);1,3-6,9-11H,2,7-8,21H2,(H,23,27)(H2,22,28,29)(H,24,25,26)
InChIKeyBTXKYPXNNBSCFY-UHFFFAOYSA-N
XLogP13.48
TPSA700.63 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds32
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002422.95
LogP ≤ 513.48
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide with MolForge

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Related Compounds

tert-butyl N-[3-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]propyl]carbamate
CID 11642522
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
3-[[8-(Piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262654
tert-butyl N-[1-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate
CID 59262655
Tert-butyl 4-[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]piperazine-1-carboxylate
CID 59262673
3-[[8-(Piperidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide
CID 59262679
2-(3-methylsulfonylanilino)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]thieno[2,3-h]quinazoline-8-carboxamide
CID 59262681
(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
tert-butyl N-[1-[2-(3-phenylanilino)thieno[2,3-h]quinazoline-8-carbonyl]pyrrolidin-3-yl]carbamate
CID 59262787

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide (CID 157460952) is N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is CN(C)CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.CN(CCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1)C(=O)OC(C)(C)C.CN1CCN(C(=O)c2cc3c(ccc4cnc(Nc5cccc(S(N)(=O)=O)c5)nc43)s2)CC1.CNCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.NCCCNC(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.
What is the InChIKey of N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is BTXKYPXNNBSCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O5S2.C22H22N6O3S2.C21H22N6O3S2.2C20H20N6O3S2/c1-25(2,3)36-24(33)31(4)11-10-27-22(32)20-13-18-19(37-20)9-8-15-14-28-23(30-21(15)18)29-16-6-5-7-17(12-16)38(26,34)35;1-27-7-9-28(10-8-27)21(29)19-12-17-18(32-19)6-5-14-13-24-22(26-20(14)17)25-15-3-2-4-16(11-15)33(23,30)31;1-27(2)9-8-23-20(28)18-11-16-17(31-18)7-6-13-12-24-21(26-19(13)16)25-14-4-3-5-15(10-14)32(22,29)30;1-22-7-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-2-4-14(9-13)31(21,28)29;21-7-2-8-23-19(27)17-10-15-16(30-17)6-5-12-11-24-20(26-18(12)15)25-13-3-1-4-14(9-13)31(22,28)29/h5-9,12-14H,10-11H2,1-4H3,(H,27,32)(H2,26,34,35)(H,28,29,30);2-6,11-13H,7-10H2,1H3,(H2,23,30,31)(H,24,25,26);3-7,10-12H,8-9H2,1-2H3,(H,23,28)(H2,22,29,30)(H,24,25,26);2-6,9-11,22H,7-8H2,1H3,(H,23,27)(H2,21,28,29)(H,24,25,26);1,3-6,9-11H,2,7-8,21H2,(H,23,27)(H2,22,28,29)(H,24,25,26).
What are the key properties of N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide?
N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 2422.95 g/mol, XLogP of 13.48, 32 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;tert-butyl N-methyl-N-[2-[[2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carbonyl]amino]ethyl]carbamate;N-[2-(dimethylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;N-[2-(methylamino)ethyl]-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide;3-[[8-(4-methylpiperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 157460952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).