2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide

C17H21ClN6O2S — CID 4826992

IUPAC2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN6O2S/c1-11-4-2-3-5-14(11)19-16(26)20-15(25)10-27-17-21-22-23-24(17)13-8-6-12(18)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H2,19,20,25,26)
InChIKeyHWFQXXKCYCUPSL-UHFFFAOYSA-N
MW408.92 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide

2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 4826992) has the molecular formula C17H21ClN6O2S and a molecular weight of 408.92 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID4826992
Molecular FormulaC17H21ClN6O2S
Molecular Weight408.92 g/mol
Exact Mass408.11
IUPAC Name2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN6O2S/c1-11-4-2-3-5-14(11)19-16(26)20-15(25)10-27-17-21-22-23-24(17)13-8-6-12(18)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H2,19,20,25,26)
InChIKeyHWFQXXKCYCUPSL-UHFFFAOYSA-N
XLogP2.81
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.92
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
6-Amino-5-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2610204
N-(2-methylcyclohexyl)-2-[(1-phenyl-1H-tetrazol-5-yl)thio]acetamide
CID 2950345
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 15945292
2-{[1-(4-chlorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1132116
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-(4-methylcyclohexyl)acetamide
CID 4815048
N-benzyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 45708494
1-Benzyl-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropylcarbamoyl]urea
CID 52942647
1-(3-Phenylpropyl)-3-[3-(1-phenyltetrazol-5-yl)sulfanylpropylcarbamoyl]urea
CID 52944578
1-[2-[1-(4-Chlorophenyl)tetrazol-5-yl]sulfanylacetyl]imidazolidin-2-one
CID 7856848
2-[1-(3-Chloro-4-fluoro-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-phenethyl-acetamide
CID 1274078
N-(2-chlorophenyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide
CID 7531820

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 4826992) is 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is HWFQXXKCYCUPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2S/c1-11-4-2-3-5-14(11)19-16(26)20-15(25)10-27-17-21-22-23-24(17)13-8-6-12(18)7-9-13/h6-9,11,14H,2-5,10H2,1H3,(H2,19,20,25,26).
What are the key properties of 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 408.92 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 4826992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).