N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide

C19H17N5O3S2 — CID 59262750

IUPACN,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCN(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C19H17N5O3S2/c1-24(2)18(25)16-9-14-15(28-16)7-6-11-10-21-19(23-17(11)14)22-12-4-3-5-13(8-12)29(20,26)27/h3-10H,1-2H3,(H2,20,26,27)(H,21,22,23)
InChIKeyRDSGPJWYWFVUFU-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.94
Rot. Bonds4

About N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide

N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide (PubChem CID 59262750) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide
PubChem CID59262750
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC NameN,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide
SMILESCN(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1
InChIInChI=1S/C19H17N5O3S2/c1-24(2)18(25)16-9-14-15(28-16)7-6-11-10-21-19(23-17(11)14)22-12-4-3-5-13(8-12)29(20,26)27/h3-10H,1-2H3,(H2,20,26,27)(H,21,22,23)
InChIKeyRDSGPJWYWFVUFU-UHFFFAOYSA-N
XLogP2.94
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3-sulfamoylanilino)thieno[2,3-h]quinazolin-8-yl]methyl 2,2-dimethylpropanoate
CID 11677152
N-[2-(methylamino)ethyl]-2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carboxamide
CID 70947182
1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 59262748
N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 59262738
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262879
3-[[2-(diethylamino)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 11611670
[8-(3-sulfamoylanilino)-[1,3]thiazolo[4,5-h]quinazolin-2-yl]methyl 2,2-dimethylpropanoate
CID 59262752
3-[(5-methylpyrimidin-2-yl)amino]benzenesulfonamide
CID 153326122
8-(3-acetamidoanilino)-N,N-dimethyl-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;8-(3-acetamidoanilino)-[1,3]thiazolo[4,5-h]quinazoline-2-carboxylic acid;8-(3,5-dimethylanilino)-N,N-dimethyl-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide;N,N-dimethyl-8-(3-sulfamoylanilino)-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide;3-[[2-(piperazine-1-carbonyl)-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 158331213
(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262706
3-[[2-(piperazin-1-ylmethyl)-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262936
1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
CID 160610269

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The IUPAC name of N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide (CID 59262750) is N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The canonical SMILES for N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide is CN(C)C(=O)c1cc2c(ccc3cnc(Nc4cccc(S(N)(=O)=O)c4)nc32)s1.
What is the InChIKey of N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
The InChIKey is RDSGPJWYWFVUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-24(2)18(25)16-9-14-15(28-16)7-6-11-10-21-19(23-17(11)14)22-12-4-3-5-13(8-12)29(20,26)27/h3-10H,1-2H3,(H2,20,26,27)(H,21,22,23).
What are the key properties of N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide?
N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-sulfamoylanilino)thieno[2,3-h]quinazoline-8-carboxamide is sourced from PubChem (CID 59262750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).