N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

C20H22ClN3O4S — CID 53284068

IUPACN-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O4S/c21-17-5-1-3-14(11-17)13-29(27,28)24-9-7-15(8-10-24)20(26)23-18-6-2-4-16(12-18)19(22)25/h1-6,11-12,15H,7-10,13H2,(H2,22,25)(H,23,26)
InChIKeyDGORUFCUYMLBEH-UHFFFAOYSA-N
MW435.93 g/mol
LogP2.62
Rot. Bonds6

About N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide

N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 53284068) has the molecular formula C20H22ClN3O4S and a molecular weight of 435.93 g/mol. Its IUPAC name is N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID53284068
Molecular FormulaC20H22ClN3O4S
Molecular Weight435.93 g/mol
Exact Mass435.10
IUPAC NameN-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESNC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H22ClN3O4S/c21-17-5-1-3-14(11-17)13-29(27,28)24-9-7-15(8-10-24)20(26)23-18-6-2-4-16(12-18)19(22)25/h1-6,11-12,15H,7-10,13H2,(H2,22,25)(H,23,26)
InChIKeyDGORUFCUYMLBEH-UHFFFAOYSA-N
XLogP2.62
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chlorophenyl)methylsulfonyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperidine-4-carboxamide
CID 46762919
1-[(3-chlorophenyl)methylsulfonyl]-N-[4-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 46763877
N-(3-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642542
N-(5-chloro-2-methylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642541
methyl 3-[[1-[(3-methylphenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 43909281
1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-chlorophenyl)piperidine-4-carboxamide
CID 92642656
(3S)-1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 92641688
1-[(3-chlorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide
CID 92671692
N-[3-(4-tert-butylbenzoyl)phenyl]-1-[(3,4-dichlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43916601
ethyl 3-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate
CID 92683990
N-(4-carbamoylphenyl)-1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 46265573
N-(4-acetamidophenyl)-1-[(3-bromophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 38013728

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide (CID 53284068) is N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is NC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is DGORUFCUYMLBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4S/c21-17-5-1-3-14(11-17)13-29(27,28)24-9-7-15(8-10-24)20(26)23-18-6-2-4-16(12-18)19(22)25/h1-6,11-12,15H,7-10,13H2,(H2,22,25)(H,23,26).
What are the key properties of N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide?
N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 435.93 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoylphenyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53284068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).