N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

C18H19ClN4O4S — CID 26715661

IUPACN-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)21-15-4-3-14(10-20)16(19)9-15/h3-4,9,13H,5-8H2,1-2H3,(H,21,24)
InChIKeyVFPWTQGDLQDFQZ-UHFFFAOYSA-N
MW422.89 g/mol
LogP2.86
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 26715661) has the molecular formula C18H19ClN4O4S and a molecular weight of 422.89 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID26715661
Molecular FormulaC18H19ClN4O4S
Molecular Weight422.89 g/mol
Exact Mass422.08
IUPAC NameN-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1
InChIInChI=1S/C18H19ClN4O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)21-15-4-3-14(10-20)16(19)9-15/h3-4,9,13H,5-8H2,1-2H3,(H,21,24)
InChIKeyVFPWTQGDLQDFQZ-UHFFFAOYSA-N
XLogP2.86
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 15990507
(3S)-N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 27896491
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26923126
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 36671702
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(1H-indazol-5-yl)piperidine-4-carboxamide
CID 55517518
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 26692913
N-(3-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335753
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 22109175
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9087310
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 26688834
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 24532822
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide
CID 40640936

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 26715661) is N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is VFPWTQGDLQDFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S/c1-11-17(12(2)27-22-11)28(25,26)23-7-5-13(6-8-23)18(24)21-15-4-3-14(10-20)16(19)9-15/h3-4,9,13H,5-8H2,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 422.89 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 26715661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).