N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

C22H35N3O3S — CID 46381911

IUPACN-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1C
InChIInChI=1S/C22H35N3O3S/c1-17-8-9-21(16-18(17)2)29(27,28)23-13-10-19-11-14-25(15-12-19)22(26)24-20-6-4-3-5-7-20/h8-9,16,19-20,23H,3-7,10-15H2,1-2H3,(H,24,26)
InChIKeyOOMFQNHMLAOJRR-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.73
Rot. Bonds6

About N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381911) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381911
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC NameN-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1C
InChIInChI=1S/C22H35N3O3S/c1-17-8-9-21(16-18(17)2)29(27,28)23-13-10-19-11-14-25(15-12-19)22(26)24-20-6-4-3-5-7-20/h8-9,16,19-20,23H,3-7,10-15H2,1-2H3,(H,24,26)
InChIKeyOOMFQNHMLAOJRR-UHFFFAOYSA-N
XLogP3.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Glycyclamide
CID 12628
4-(2-((Cyclohexylcarbamoyl)amino)ethyl)benzenesulfonamide
CID 841429
Glyhexamide
CID 9953
Glyoctamide
CID 13953
Tosifen
CID 36102
({[Cyclohexyl(methyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2814168
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
1-Methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
CID 10111188
1-[(1S)-1-phenylethyl]-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 127045089
Sch 11973
CID 193147
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-benzyl-urea
CID 478440
Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1R)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
CID 478446

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (CID 46381911) is N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1C.
What is the InChIKey of N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is OOMFQNHMLAOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-17-8-9-21(16-18(17)2)29(27,28)23-13-10-19-11-14-25(15-12-19)22(26)24-20-6-4-3-5-7-20/h8-9,16,19-20,23H,3-7,10-15H2,1-2H3,(H,24,26).
What are the key properties of N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).