N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

C24H30ClN3O4S — CID 24603908

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C24H30ClN3O4S/c1-17-6-7-22(18(2)16-17)33(30,31)28-10-8-19(9-11-28)24(29)26-21-5-3-4-20(25)23(21)27-12-14-32-15-13-27/h3-7,16,19H,8-15H2,1-2H3,(H,26,29)
InChIKeyJMTBHEQYZSMREA-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.83
Rot. Bonds5

About N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 24603908) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID24603908
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)c(C)c1
InChIInChI=1S/C24H30ClN3O4S/c1-17-6-7-22(18(2)16-17)33(30,31)28-10-8-19(9-11-28)24(29)26-21-5-3-4-20(25)23(21)27-12-14-32-15-13-27/h3-7,16,19H,8-15H2,1-2H3,(H,26,29)
InChIKeyJMTBHEQYZSMREA-UHFFFAOYSA-N
XLogP3.83
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-N-(2-piperidin-1-ylphenyl)piperidine-4-carboxamide
CID 26520191
N-(2-acetylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26067591
N-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 71540946
tert-butyl 4-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]piperidine-1-carboxylate
CID 24614259
N-(3-bromophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26914002
N-(3,4-dimethylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26915423
1-(2,4-dimethylphenyl)sulfonyl-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71540714
N-(5-tert-butyl-2-hydroxyphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27672888
1-[1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 41499726
N-[3-(1,1-difluoroethyl)phenyl]-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 139012594
1-(2,4-dimethylphenyl)sulfonyl-N-(4-methylsulfonylphenyl)piperidine-4-carboxamide
CID 26239250
N-(3-chloro-2-morpholin-4-ylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 30461617

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide (CID 24603908) is N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(Cl)c3N3CCOCC3)CC2)c(C)c1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is JMTBHEQYZSMREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-17-6-7-22(18(2)16-17)33(30,31)28-10-8-19(9-11-28)24(29)26-21-5-3-4-20(25)23(21)27-12-14-32-15-13-27/h3-7,16,19H,8-15H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 24603908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).