N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

C17H16ClN5OS — CID 980320

IUPACN-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2C)cc1
InChIInChI=1S/C17H16ClN5OS/c1-11-3-8-14(18)9-15(11)19-16(24)13-6-4-12(5-7-13)10-25-17-20-21-22-23(17)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyNTJBKXNUEUVWDK-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.72
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide

N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (PubChem CID 980320) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
PubChem CID980320
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2C)cc1
InChIInChI=1S/C17H16ClN5OS/c1-11-3-8-14(18)9-15(11)19-16(24)13-6-4-12(5-7-13)10-25-17-20-21-22-23(17)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyNTJBKXNUEUVWDK-UHFFFAOYSA-N
XLogP3.72
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]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

N-(4-methylphenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzamide
CID 851613
N-(2-fluorophenyl)-4-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}benzamide
CID 977269
N-[(4-methylphenyl)methyl]-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2106059
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(3,5-dimethylphenyl)-4-{[(1-methyl-1H-tetraazol-5-yl)sulfanyl]methyl}benzamide
CID 980280
N-(3,5-dichlorophenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 4079323
Cambridge id 6968327
CID 2294818
4-chloro-3-methyl-N-[3-[(1S)-1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]benzamide
CID 139360832
(4-chlorophenyl)-N-[2-(1-phenyl(1,2,3,4-tetraazol-5-ylthio))ethyl]carboxamide
CID 4750120
7-chloro-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]-4-phenylquinolin-2(1H)-one
CID 16476153
N-(5-Chloro-2-methylphenyl)-4-[(1H-1,2,4-triazol-1-YL)methyl]benzamide
CID 25947719
N-(5-chloro-2-cyanophenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 5194616

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide (CID 980320) is N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2C)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
The InChIKey is NTJBKXNUEUVWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-11-3-8-14(18)9-15(11)19-16(24)13-6-4-12(5-7-13)10-25-17-20-21-22-23(17)2/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide?
N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide has a molecular weight of 373.87 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).