N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

C24H30ClN3O4S — CID 55605664

IUPACN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C24H30ClN3O4S/c1-3-28(4-2)33(31,32)22-16-20(12-13-21(22)25)26-24(30)19-11-8-14-27(17-19)23(29)15-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,19H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyYKXHYMHFUOQRIN-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.79
Rot. Bonds8

About N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 55605664) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID55605664
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC NameN-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1Cl
InChIInChI=1S/C24H30ClN3O4S/c1-3-28(4-2)33(31,32)22-16-20(12-13-21(22)25)26-24(30)19-11-8-14-27(17-19)23(29)15-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,19H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30)
InChIKeyYKXHYMHFUOQRIN-UHFFFAOYSA-N
XLogP3.79
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55577216
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605523
1-benzyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 25163321
1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
1-(cyclopropanecarbonyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]piperidine-3-carboxamide
CID 55683159
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
N-(4-chloro-2-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55604677
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 55605706
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 55605664) is N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CCCN(C(=O)Cc3ccccc3)C2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is YKXHYMHFUOQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-3-28(4-2)33(31,32)22-16-20(12-13-21(22)25)26-24(30)19-11-8-14-27(17-19)23(29)15-18-9-6-5-7-10-18/h5-7,9-10,12-13,16,19H,3-4,8,11,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 55605664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).