2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

C17H24N2O4S — CID 39076157

IUPAC2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24N2O4S/c1-19(15-10-6-3-7-11-15)17(21)13-24(22,23)12-16(20)18-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20)
InChIKeyLTMFJRCTSSKCBI-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (PubChem CID 39076157) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
PubChem CID39076157
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H24N2O4S/c1-19(15-10-6-3-7-11-15)17(21)13-24(22,23)12-16(20)18-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20)
InChIKeyLTMFJRCTSSKCBI-UHFFFAOYSA-N
XLogP1.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
(2-anilino-2-oxoethyl) 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanylacetate
CID 7739318
2-[2-[bis(2-methoxyethyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076137
2-[(4-chlorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852588
2-[benzenesulfonyl(cyclohexyl)amino]-N-phenylacetamide
CID 45374457
N-cyclohexyl-N-methyl-2-[(3-methylphenyl)methylsulfonyl]acetamide
CID 78852248
2-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide
CID 39076171
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-2-[cyclohexyl(methyl)amino]acetamide
CID 55409399
N-cyclohexyl-N-methyl-2-naphthalen-2-ylsulfonylacetamide
CID 4531956
N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide (CID 39076157) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is CN(C(=O)CS(=O)(=O)CC(=O)Nc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
The InChIKey is LTMFJRCTSSKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-19(15-10-6-3-7-11-15)17(21)13-24(22,23)12-16(20)18-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,18,20).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide?
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide has a molecular weight of 352.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfonyl-N-phenylacetamide is sourced from PubChem (CID 39076157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).