2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide

C20H30N2O3S — CID 42065160

IUPAC2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3S/c23-20(21-17-10-4-1-2-5-11-17)16-18-12-8-9-15-22(18)26(24,25)19-13-6-3-7-14-19/h3,6-7,13-14,17-18H,1-2,4-5,8-12,15-16H2,(H,21,23)/t18-/m0/s1
InChIKeyFWIWCPXIXLVTJE-SFHVURJKSA-N
MW378.54 g/mol
LogP3.46
Rot. Bonds5

About 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide

2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide (PubChem CID 42065160) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
PubChem CID42065160
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide
SMILESO=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3S/c23-20(21-17-10-4-1-2-5-11-17)16-18-12-8-9-15-22(18)26(24,25)19-13-6-3-7-14-19/h3,6-7,13-14,17-18H,1-2,4-5,8-12,15-16H2,(H,21,23)/t18-/m0/s1
InChIKeyFWIWCPXIXLVTJE-SFHVURJKSA-N
XLogP3.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cycloheptyl-2-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]acetamide
CID 16826844
N-cyclohexyl-2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]acetamide
CID 26562522
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 42065143
N-[[1-(benzenesulfonyl)pyrrolidin-2-yl]methyl]-N'-cyclopentyloxamide
CID 18574773
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
3-amino-N-[[1-(benzenesulfonyl)piperidin-2-yl]methyl]propanamide
CID 120584763
1-(benzenesulfonyl)-2-(iodomethyl)piperidine
CID 71381040
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-2-yl]-N-[4-[phenyl(pyrrolidin-1-yl)methyl]cyclohexyl]acetamide
CID 66755827
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42065132

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide (CID 42065160) is 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide is O=C(C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)NC1CCCCCC1.
What is the InChIKey of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide?
The InChIKey is FWIWCPXIXLVTJE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H30N2O3S/c23-20(21-17-10-4-1-2-5-11-17)16-18-12-8-9-15-22(18)26(24,25)19-13-6-3-7-14-19/h3,6-7,13-14,17-18H,1-2,4-5,8-12,15-16H2,(H,21,23)/t18-/m0/s1.
What are the key properties of 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide?
2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide has a molecular weight of 378.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(benzenesulfonyl)piperidin-2-yl]-N-cycloheptylacetamide is sourced from PubChem (CID 42065160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).