N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide

C18H17N5O3S — CID 25017565

IUPACN-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cc(C(=O)NC4CC4)ccc3n2)cc1
InChIInChI=1S/C18H17N5O3S/c19-27(25,26)15-6-4-14(5-7-15)22-18-20-10-12-9-11(1-8-16(12)23-18)17(24)21-13-2-3-13/h1,4-10,13H,2-3H2,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyNYYGLHSHSAQOKE-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.91
Rot. Bonds5

About N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide

N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide (PubChem CID 25017565) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
PubChem CID25017565
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3cc(C(=O)NC4CC4)ccc3n2)cc1
InChIInChI=1S/C18H17N5O3S/c19-27(25,26)15-6-4-14(5-7-15)22-18-20-10-12-9-11(1-8-16(12)23-18)17(24)21-13-2-3-13/h1,4-10,13H,2-3H2,(H,21,24)(H2,19,25,26)(H,20,22,23)
InChIKeyNYYGLHSHSAQOKE-UHFFFAOYSA-N
XLogP1.91
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-methyl-2-(4-sulfamoylanilino)quinazoline-7-carboxylic acid
CID 67080801
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-sulfamoylanilino)quinazoline-8-carboxamide
CID 67102077
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
4-[[4-(cyclohexylamino)-5-methylpyrimidin-2-yl]amino]benzenesulfonamide
CID 142188527
N-cyclopropyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109223606
5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
CID 67102027
4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58751569
4-sulfamoyl-N-[(3S)-thiolan-3-yl]benzamide
CID 39826173
2-(3-acetylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247399
N-[2-(4-sulfamoylanilino)-5,6-dihydrobenzo[h]quinazolin-8-yl]cyclopentanecarboxamide
CID 46890285
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide (CID 25017565) is N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide is NS(=O)(=O)c1ccc(Nc2ncc3cc(C(=O)NC4CC4)ccc3n2)cc1.
What is the InChIKey of N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide?
The InChIKey is NYYGLHSHSAQOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c19-27(25,26)15-6-4-14(5-7-15)22-18-20-10-12-9-11(1-8-16(12)23-18)17(24)21-13-2-3-13/h1,4-10,13H,2-3H2,(H,21,24)(H2,19,25,26)(H,20,22,23).
What are the key properties of N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide?
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide is sourced from PubChem (CID 25017565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).