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

C18H22ClN3O4S — CID 3237633

IUPACN-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C18H22ClN3O4S/c1-11-6-7-15(19)9-16(11)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyNGGBEAYCOAYQGW-UHFFFAOYSA-N
MW411.91 g/mol
LogP3.29
Rot. Bonds4

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

N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (PubChem CID 3237633) has the molecular formula C18H22ClN3O4S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
PubChem CID3237633
Molecular FormulaC18H22ClN3O4S
Molecular Weight411.91 g/mol
Exact Mass411.10
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C18H22ClN3O4S/c1-11-6-7-15(19)9-16(11)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23)
InChIKeyNGGBEAYCOAYQGW-UHFFFAOYSA-N
XLogP3.29
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide (CID 3237633) is N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
The InChIKey is NGGBEAYCOAYQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O4S/c1-11-6-7-15(19)9-16(11)20-18(23)14-5-4-8-22(10-14)27(24,25)17-12(2)21-26-13(17)3/h6-7,9,14H,4-5,8,10H2,1-3H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide has a molecular weight of 411.91 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 3237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).