2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide

C15H19N5OS — CID 3228978

IUPAC2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1
InChIInChI=1S/C15H19N5OS/c1-11-5-4-6-12(9-11)16-14(21)10-22-15-17-18-19-20(15)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,21)
InChIKeyHIOUKWJAFCGWKX-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.83
Rot. Bonds5

About 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide (PubChem CID 3228978) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
PubChem CID3228978
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1
InChIInChI=1S/C15H19N5OS/c1-11-5-4-6-12(9-11)16-14(21)10-22-15-17-18-19-20(15)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,21)
InChIKeyHIOUKWJAFCGWKX-UHFFFAOYSA-N
XLogP2.83
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Ethylphenyl)-2-[(1-methyl-1H-tetraazol-5-yl)sulfanyl]acetamide
CID 578286
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
N-cyclopentyl-2-[1-(3-methylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 2096816
2-[1-(3,4-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 562730
2-[(1-benzyl-1H-tetrazol-5-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 1332881
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201
N-(3-Acetylamino-phenyl)-2-(1-benzyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644552
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
N-{3-[2-(1-Cyclopentyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 645548
N-(3-Acetylamino-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 647370
N-{4-[2-(1-Isopropyl-1H-tetrazol-5-ylsulfanyl)-acetylamino]-phenyl}-propionamide
CID 647739

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide (CID 3228978) is 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CSc2nnnn2C2CCCC2)c1.
What is the InChIKey of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
The InChIKey is HIOUKWJAFCGWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11-5-4-6-12(9-11)16-14(21)10-22-15-17-18-19-20(15)13-7-2-3-8-13/h4-6,9,13H,2-3,7-8,10H2,1H3,(H,16,21).
What are the key properties of 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide?
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide has a molecular weight of 317.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 3228978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).