3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide

C19H19N3O2S2 — CID 3431598

IUPAC3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1
InChIInChI=1S/C19H19N3O2S2/c23-17(20-11-14-6-3-9-26-14)12-7-8-15-16(10-12)21-19(25)22(18(15)24)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,20,23)(H,21,25)
InChIKeyVBRNFJRKCJYFHB-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.17
Rot. Bonds4

About 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide

3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide (PubChem CID 3431598) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
PubChem CID3431598
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
SMILESO=C(NCc1cccs1)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1
InChIInChI=1S/C19H19N3O2S2/c23-17(20-11-14-6-3-9-26-14)12-7-8-15-16(10-12)21-19(25)22(18(15)24)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,20,23)(H,21,25)
InChIKeyVBRNFJRKCJYFHB-UHFFFAOYSA-N
XLogP4.17
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethyl)-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 4609877
3-cyclohexyl-N-(3-methylphenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 23793078
N-[(4-methylphenyl)methyl]-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4248177
3,4-diamino-N-(thiophen-2-ylmethyl)benzamide
CID 67362450
N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 25351251
N-[(2-methoxyphenyl)methyl]-2,4-dioxo-3-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide
CID 71825192
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56547069
3-cyclobutyl-7-nitro-2-sulfanylidene-1H-quinazolin-4-one
CID 114588883
N-(2-hydroxycyclohexyl)-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 102560319
6-cyclopentyl-2-(thiophen-2-ylmethylamino)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
CID 71794132
N-[[4-[cyclohexyl(methyl)amino]phenyl]methyl]-4-oxo-3-prop-2-enyl-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 60598359
3-methyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 56523344

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The IUPAC name of 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide (CID 3431598) is 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide.
What is the SMILES notation for 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The canonical SMILES for 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide is O=C(NCc1cccs1)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1.
What is the InChIKey of 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
The InChIKey is VBRNFJRKCJYFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-17(20-11-14-6-3-9-26-14)12-7-8-15-16(10-12)21-19(25)22(18(15)24)13-4-1-2-5-13/h3,6-10,13H,1-2,4-5,11H2,(H,20,23)(H,21,25).
What are the key properties of 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide?
3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-oxo-2-sulfanylidene-N-(thiophen-2-ylmethyl)-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 3431598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).