2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide

C21H25FN2O3S — CID 2695389

IUPAC2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-19-13-7-8-14-20(19)28(26,27)24(15-17-9-3-1-4-10-17)16-21(25)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,23,25)
InChIKeyTWCSNHWDCXRCDD-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.47
Rot. Bonds7

About 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide

2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide (PubChem CID 2695389) has the molecular formula C21H25FN2O3S and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
PubChem CID2695389
Molecular FormulaC21H25FN2O3S
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NC1CCCCC1
InChIInChI=1S/C21H25FN2O3S/c22-19-13-7-8-14-20(19)28(26,27)24(15-17-9-3-1-4-10-17)16-21(25)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,23,25)
InChIKeyTWCSNHWDCXRCDD-UHFFFAOYSA-N
XLogP3.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 988036
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 1281165
N-cyclohexyl-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126009784
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-cycloheptyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 113151851
2-[benzenesulfonyl(ethyl)amino]-N-cyclooctylacetamide
CID 45372670
2-[benzyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-cyclohexylacetamide
CID 20944864
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-cyclopentylacetamide
CID 1072746
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 2108598
N-cyclopentyl-2-[(4-fluorophenyl)methyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 26055553
2-[benzyl(cyclohexyl)amino]-N-cyclopropylacetamide
CID 60522706

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide (CID 2695389) is 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F)NC1CCCCC1.
What is the InChIKey of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide?
The InChIKey is TWCSNHWDCXRCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3S/c22-19-13-7-8-14-20(19)28(26,27)24(15-17-9-3-1-4-10-17)16-21(25)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,23,25).
What are the key properties of 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide?
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide has a molecular weight of 404.51 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 2695389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).