N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

C21H24ClN3O4S — CID 53284031

IUPACN-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cccc1C(N)=O
InChIInChI=1S/C21H24ClN3O4S/c1-14-17(20(23)26)6-4-8-19(14)24-21(27)15-9-11-25(12-10-15)30(28,29)13-16-5-2-3-7-18(16)22/h2-8,15H,9-13H2,1H3,(H2,23,26)(H,24,27)
InChIKeyCCNVPJMLDKLCRZ-UHFFFAOYSA-N
MW449.96 g/mol
LogP2.93
Rot. Bonds6

About N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 53284031) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID53284031
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cccc1C(N)=O
InChIInChI=1S/C21H24ClN3O4S/c1-14-17(20(23)26)6-4-8-19(14)24-21(27)15-9-11-25(12-10-15)30(28,29)13-16-5-2-3-7-18(16)22/h2-8,15H,9-13H2,1H3,(H2,23,26)(H,24,27)
InChIKeyCCNVPJMLDKLCRZ-UHFFFAOYSA-N
XLogP2.93
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
N-(2-carbamoylphenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 28577038
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
N-(3-carbamoyl-2-methylphenyl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284615
(3R)-1-[(2-chlorophenyl)methylsulfonyl]-N-(2,3-dimethylphenyl)piperidine-3-carboxamide
CID 92641578
N-(2,3-dichlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642622
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
(3R)-N-(3-carbamoyl-2-methylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 95875581
ethyl 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 92683990
1-[(3-bromophenyl)methylsulfonyl]-N-(3-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43910160
N-(3-carbamoyl-2-methylphenyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284541

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 53284031) is N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)cccc1C(N)=O.
What is the InChIKey of N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is CCNVPJMLDKLCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-14-17(20(23)26)6-4-8-19(14)24-21(27)15-9-11-25(12-10-15)30(28,29)13-16-5-2-3-7-18(16)22/h2-8,15H,9-13H2,1H3,(H2,23,26)(H,24,27).
What are the key properties of N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 449.96 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-2-methylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53284031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).