N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

C17H16ClN5OS — CID 4542739

IUPACN-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C17H16ClN5OS/c1-11-7-8-13(18)9-14(11)19-16(24)10-25-17-20-21-22-23(17)15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyBJLSKECHPSCXDG-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.66
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 4542739) has the molecular formula C17H16ClN5OS and a molecular weight of 373.87 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID4542739
Molecular FormulaC17H16ClN5OS
Molecular Weight373.87 g/mol
Exact Mass373.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
SMILESCc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C17H16ClN5OS/c1-11-7-8-13(18)9-14(11)19-16(24)10-25-17-20-21-22-23(17)15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,19,24)
InChIKeyBJLSKECHPSCXDG-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5001516
N-(3,5-dimethylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5137050
N-(4-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4803407
N-(5-chloro-2-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 23775373
N-(2,6-dibromo-4-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2388271
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2419707
N-(4-hydroxy-3-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 5234701
[3-methyl-4-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]phenyl] thiocyanate
CID 7647104
N-(2-ethylphenyl)-2-[[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]acetamide
CID 8686214
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 2603871
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 7846484
N-[2-(2-fluorophenyl)ethyl]-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8686311

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide (CID 4542739) is N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is Cc1ccc(Cl)cc1NC(=O)CSc1nnnn1-c1ccccc1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is BJLSKECHPSCXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5OS/c1-11-7-8-13(18)9-14(11)19-16(24)10-25-17-20-21-22-23(17)15-6-4-3-5-12(15)2/h3-9H,10H2,1-2H3,(H,19,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 373.87 g/mol, XLogP of 3.66, 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)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 4542739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).