2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

C21H24FNO3S — CID 112795625

IUPAC2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C21H24FNO3S/c22-18-13-11-17(12-14-18)15-23(19-7-3-1-4-8-19)21(24)16-27(25,26)20-9-5-2-6-10-20/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2
InChIKeyCOYVFSRUZKCYAA-UHFFFAOYSA-N
MW389.49 g/mol
LogP3.96
Rot. Bonds6

About 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide

2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 112795625) has the molecular formula C21H24FNO3S and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID112795625
Molecular FormulaC21H24FNO3S
Molecular Weight389.49 g/mol
Exact Mass389.15
IUPAC Name2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CS(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)C1CCCCC1
InChIInChI=1S/C21H24FNO3S/c22-18-13-11-17(12-14-18)15-23(19-7-3-1-4-8-19)21(24)16-27(25,26)20-9-5-2-6-10-20/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2
InChIKeyCOYVFSRUZKCYAA-UHFFFAOYSA-N
XLogP3.96
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-(methylamino)acetamide
CID 119688726
N-benzyl-N-tert-butyl-2-(4-fluorophenyl)sulfonylacetamide
CID 86992771
3-[benzyl-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]propanamide
CID 18124761
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 134032079
2-anilino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]acetamide
CID 119693145
N-cyclohexyl-2-[(5R)-3-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-2,4-dioxo-5-(2-phenylethyl)imidazolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 99668408
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]amino]-N-methylacetamide
CID 8772654
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
2-(benzenesulfonyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 78761130
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799744
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide (CID 112795625) is 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is O=C(CS(=O)(=O)c1ccccc1)N(Cc1ccc(F)cc1)C1CCCCC1.
What is the InChIKey of 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is COYVFSRUZKCYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FNO3S/c22-18-13-11-17(12-14-18)15-23(19-7-3-1-4-8-19)21(24)16-27(25,26)20-9-5-2-6-10-20/h2,5-6,9-14,19H,1,3-4,7-8,15-16H2.
What are the key properties of 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide?
2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 389.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 112795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).