N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

C16H23ClN2O3S — CID 70730171

IUPACN-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O3S/c1-12-15(17)7-5-8-16(12)23(21,22)19-11-4-3-6-14(19)9-10-18-13(2)20/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20)
InChIKeyOWGDAIXCMMRSEM-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.72
Rot. Bonds5

About N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (PubChem CID 70730171) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
PubChem CID70730171
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C16H23ClN2O3S/c1-12-15(17)7-5-8-16(12)23(21,22)19-11-4-3-6-14(19)9-10-18-13(2)20/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20)
InChIKeyOWGDAIXCMMRSEM-UHFFFAOYSA-N
XLogP2.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
CID 61009148
N-[2-[1-(2,6-difluorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
CID 70754305
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]methyl]adamantane-1-carboxamide
CID 91398152
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]ethyl]cyclooctanecarboxamide;methane
CID 173136016
1-(3-chloro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 43361313
2-[2-[1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]ethoxy]acetic acid
CID 68722665
N'-(2-chlorophenyl)-N-[2-[(2R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 41196854
2-(2-acetamidoethyl)-N-(2,4-dichloro-3-methylphenyl)piperidine-1-carboxamide
CID 72846773
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-[2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 41196224
N-[2-[1-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]piperidin-2-yl]ethyl]acetamide
CID 70783277
2-[[(2S)-1-(2,3-dichlorophenyl)sulfonylpiperidin-2-yl]methoxy]acetic acid
CID 129385003

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (CID 70730171) is N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The InChIKey is OWGDAIXCMMRSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-12-15(17)7-5-8-16(12)23(21,22)19-11-4-3-6-14(19)9-10-18-13(2)20/h5,7-8,14H,3-4,6,9-11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide has a molecular weight of 358.89 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70730171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).