N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C20H28ClN3O4S — CID 55905233

IUPACN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C20H28ClN3O4S/c1-29(27,28)24-11-9-14(10-12-24)19(25)23-16-7-8-18(21)17(13-16)20(26)22-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyPVEBLLJEANMGNL-UHFFFAOYSA-N
MW441.98 g/mol
LogP3.01
Rot. Bonds5

About N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 55905233) has the molecular formula C20H28ClN3O4S and a molecular weight of 441.98 g/mol. Its IUPAC name is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID55905233
Molecular FormulaC20H28ClN3O4S
Molecular Weight441.98 g/mol
Exact Mass441.15
IUPAC NameN-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C20H28ClN3O4S/c1-29(27,28)24-11-9-14(10-12-24)19(25)23-16-7-8-18(21)17(13-16)20(26)22-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,22,26)(H,23,25)
InChIKeyPVEBLLJEANMGNL-UHFFFAOYSA-N
XLogP3.01
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.98
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
N-cycloheptyl-1-methylsulfonylpiperidine-4-carboxamide
CID 774769
2-chloro-5-(cycloheptanecarbonylamino)benzoic acid
CID 62587194
2-chloro-5-(cyclooctanecarbonylamino)benzoic acid
CID 65019289
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 55905233) is N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is PVEBLLJEANMGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O4S/c1-29(27,28)24-11-9-14(10-12-24)19(25)23-16-7-8-18(21)17(13-16)20(26)22-15-5-3-2-4-6-15/h7-8,13-15H,2-6,9-12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 441.98 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55905233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).