2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

C16H14ClN5OS — CID 38681198

IUPAC2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H14ClN5OS/c1-24-16-19-20-21-22(16)13-7-4-6-12(10-13)18-15(23)9-11-5-2-3-8-14(11)17/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyZWYBZQLRYYUBQX-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide

2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (PubChem CID 38681198) has the molecular formula C16H14ClN5OS and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
PubChem CID38681198
Molecular FormulaC16H14ClN5OS
Molecular Weight359.84 g/mol
Exact Mass359.06
IUPAC Name2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
SMILESCSc1nnnn1-c1cccc(NC(=O)Cc2ccccc2Cl)c1
InChIInChI=1S/C16H14ClN5OS/c1-24-16-19-20-21-22(16)13-7-4-6-12(10-13)18-15(23)9-11-5-2-3-8-14(11)17/h2-8,10H,9H2,1H3,(H,18,23)
InChIKeyZWYBZQLRYYUBQX-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 38679864
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 55608919
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679670
5-bromo-2-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 39126999
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 55608809
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 51078036
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 38682016
3-chloro-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 55608971
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-1-phenylcyclobutane-1-carboxamide
CID 134034450
4-iodo-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]benzamide
CID 38679629
2-(2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide
CID 55584964
N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 38682339

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide (CID 38681198) is 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is CSc1nnnn1-c1cccc(NC(=O)Cc2ccccc2Cl)c1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
The InChIKey is ZWYBZQLRYYUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5OS/c1-24-16-19-20-21-22(16)13-7-4-6-12(10-13)18-15(23)9-11-5-2-3-8-14(11)17/h2-8,10H,9H2,1H3,(H,18,23).
What are the key properties of 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide?
2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide has a molecular weight of 359.84 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 38681198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).