2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide

C17H18N4O3S — CID 135505420

IUPAC2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H18N4O3S/c18-15(23)10-5-1-3-7-12(10)19-14(22)9-25-17-20-13-8-4-2-6-11(13)16(24)21-17/h1,3,5,7H,2,4,6,8-9H2,(H2,18,23)(H,19,22)(H,20,21,24)
InChIKeyBLDBUAOXUJPOJD-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.48
Rot. Bonds5

About 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide

2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide (PubChem CID 135505420) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide
PubChem CID135505420
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H18N4O3S/c18-15(23)10-5-1-3-7-12(10)19-14(22)9-25-17-20-13-8-4-2-6-11(13)16(24)21-17/h1,3,5,7H,2,4,6,8-9H2,(H2,18,23)(H,19,22)(H,20,21,24)
InChIKeyBLDBUAOXUJPOJD-UHFFFAOYSA-N
XLogP1.48
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide 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-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-Methyl-N-[4-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)phenyl)butanamide
CID 135401345
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
2-(Prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one
CID 135404691
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-(ethylthio)-
CID 135435974
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide (CID 135505420) is 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide is NC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide?
The InChIKey is BLDBUAOXUJPOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c18-15(23)10-5-1-3-7-12(10)19-14(22)9-25-17-20-13-8-4-2-6-11(13)16(24)21-17/h1,3,5,7H,2,4,6,8-9H2,(H2,18,23)(H,19,22)(H,20,21,24).
What are the key properties of 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide?
2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide has a molecular weight of 358.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzamide is sourced from PubChem (CID 135505420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).