N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide

C15H21ClN2O4S — CID 167889276

IUPACN-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-11-13(16)4-3-5-14(11)23(20,21)18-8-6-12(7-9-18)17-15(19)10-22-2/h3-5,12H,6-10H2,1-2H3,(H,17,19)
InChIKeyNZCKUMNFEAMSMY-UHFFFAOYSA-N
MW360.86 g/mol
LogP1.56
Rot. Bonds5

About N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide

N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide (PubChem CID 167889276) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
PubChem CID167889276
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1
InChIInChI=1S/C15H21ClN2O4S/c1-11-13(16)4-3-5-14(11)23(20,21)18-8-6-12(7-9-18)17-15(19)10-22-2/h3-5,12H,6-10H2,1-2H3,(H,17,19)
InChIKeyNZCKUMNFEAMSMY-UHFFFAOYSA-N
XLogP1.56
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-[1-[(2-chloro-1,3-thiazol-5-yl)sulfonyl]piperidin-4-yl]-2-methoxyacetamide
CID 61045778
N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-4-yl]-2-methoxyacetamide
CID 61074103
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
1-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63263835
N-[[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]adamantane-1-carboxamide
CID 70266745
1-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-3-(1-tricyclo[5.3.1.03,9]undecanyl)urea
CID 71064735
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-4-methoxybenzamide
CID 11611555
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-3-methylsulfonylpyrrolidine
CID 97354839
N-[1-(2-aminophenyl)sulfonylpiperidin-4-yl]propanamide
CID 61109197
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-cyclopropylacetamide
CID 32717261

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide (CID 167889276) is N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(S(=O)(=O)c2cccc(Cl)c2C)CC1.
What is the InChIKey of N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
The InChIKey is NZCKUMNFEAMSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11-13(16)4-3-5-14(11)23(20,21)18-8-6-12(7-9-18)17-15(19)10-22-2/h3-5,12H,6-10H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide?
N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide has a molecular weight of 360.86 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 167889276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).