N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

C16H23ClN2O4S — CID 110335849

IUPACN-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyUPTNROHOJKIFRV-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.64
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (PubChem CID 110335849) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
PubChem CID110335849
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H23ClN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20)
InChIKeyUPTNROHOJKIFRV-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
(3S)-1-(3-chloro-4-methylphenyl)sulfonyl-N-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 1456805
(3R)-N-[(2-chlorophenyl)methyl]-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 92686919
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92642351
(3S)-N-[3-(2-chlorophenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 95119030
N-[(2-chlorophenyl)methyl]-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448161
(3S)-N-[(2-chlorophenyl)methyl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)piperidine-3-carboxamide
CID 92687016
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide (CID 110335849) is N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
The InChIKey is UPTNROHOJKIFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-23-9-10-24(21,22)19-8-4-6-14(12-19)16(20)18-11-13-5-2-3-7-15(13)17/h2-3,5,7,14H,4,6,8-12H2,1H3,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide has a molecular weight of 374.89 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).