2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide

C21H21ClN6O2S — CID 16535735

IUPAC2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H21ClN6O2S/c22-14-9-11-16(12-10-14)28-21(25-26-27-28)31-13-19(29)24-18-8-4-3-7-17(18)20(30)23-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,23,30)(H,24,29)
InChIKeyPUERUQDYYPMJIF-UHFFFAOYSA-N
MW456.96 g/mol
LogP3.72
Rot. Bonds7

About 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide

2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide (PubChem CID 16535735) has the molecular formula C21H21ClN6O2S and a molecular weight of 456.96 g/mol. Its IUPAC name is 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide
PubChem CID16535735
Molecular FormulaC21H21ClN6O2S
Molecular Weight456.96 g/mol
Exact Mass456.11
IUPAC Name2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C21H21ClN6O2S/c22-14-9-11-16(12-10-14)28-21(25-26-27-28)31-13-19(29)24-18-8-4-3-7-17(18)20(30)23-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,23,30)(H,24,29)
InChIKeyPUERUQDYYPMJIF-UHFFFAOYSA-N
XLogP3.72
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclopentyl-2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzamide
CID 2621097
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-(3-methylphenyl)benzamide
CID 46606064
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2,4-dichlorophenyl)acetamide
CID 1348349
N-(2-acetylphenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7561491
potassium 2-[[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]amino]benzoate
CID 44889777
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3663323
N-(4-chlorophenyl)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4814769
3-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(2-methylphenyl)propanamide
CID 4584339
4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
N-cyclopentyl-2-[[2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide
CID 8724224
2-[[2-[1-(4-ethylphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzoic acid
CID 18874200

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide (CID 16535735) is 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide is O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is PUERUQDYYPMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2S/c22-14-9-11-16(12-10-14)28-21(25-26-27-28)31-13-19(29)24-18-8-4-3-7-17(18)20(30)23-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6,13H2,(H,23,30)(H,24,29).
What are the key properties of 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 456.96 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 16535735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).