N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

C16H14ClN5OS — CID 1037998

IUPACN-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClN5OS/c1-11-7-8-12(9-14(11)17)18-15(23)10-24-16-19-20-21-22(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBTUYUTUPJLDGRH-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.35
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1037998) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
PubChem CID1037998
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1Cl
InChIInChI=1S/C16H14ClN5OS/c1-11-7-8-12(9-14(11)17)18-15(23)10-24-16-19-20-21-22(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23)
InChIKeyBTUYUTUPJLDGRH-UHFFFAOYSA-N
XLogP3.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-chloro-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-chlorophenyl)acetamide
CID 5275183
N-(2-chlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 7862520
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
1-(3-chloro-4-methylphenyl)-5-(methylthio)-1H-tetrazole
CID 2892293
N-(2-chlorophenyl)-2-(1-mesityl-1H-tetrazol-5-ylthio)acetamide
CID 2810449
N-(2-chlorophenyl)-2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylacetamide
CID 5275073
N-(2-iodophenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 11691481
N-[4-(3-amino-3-methyl-but-1-ynyl)-2-chloro-phenyl]-2-[1-(2-chloro-4-cyclopropyl-phenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 16077891
N-(5-Chloro-2-methyl-phenyl)-2-(5-methyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 644539
N-(2-methylphenyl)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propanamide
CID 851332
N-(4-chlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3140953
N-(2,5-dichlorophenyl)-2-[[5-methyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3140957

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide (CID 1037998) is N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is Cc1ccc(NC(=O)CSc2nnnn2-c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is BTUYUTUPJLDGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-11-7-8-12(9-14(11)17)18-15(23)10-24-16-19-20-21-22(16)13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,18,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide?
N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 359.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1037998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).