N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

C21H33N3O3S — CID 46381902

IUPACN-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-17-7-9-20(10-8-17)28(26,27)22-14-11-18-12-15-24(16-13-18)21(25)23-19-5-3-2-4-6-19/h7-10,18-19,22H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyHUDXUJTVTHEUHN-UHFFFAOYSA-N
MW407.58 g/mol
LogP3.42
Rot. Bonds6

About N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide

N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381902) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381902
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC NameN-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H33N3O3S/c1-17-7-9-20(10-8-17)28(26,27)22-14-11-18-12-15-24(16-13-18)21(25)23-19-5-3-2-4-6-19/h7-10,18-19,22H,2-6,11-16H2,1H3,(H,23,25)
InChIKeyHUDXUJTVTHEUHN-UHFFFAOYSA-N
XLogP3.42
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Tolbutamide Sodium
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Glyoctamide
CID 13953
Tosifen
CID 36102
({[Cyclohexyl(methyl)amino]carbonyl}amino)(4-methylphenyl)dioxo-lambda~6~-sulfane
CID 2814168
4-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 9207921
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
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (CID 46381902) is N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is Cc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is HUDXUJTVTHEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-17-7-9-20(10-8-17)28(26,27)22-14-11-18-12-15-24(16-13-18)21(25)23-19-5-3-2-4-6-19/h7-10,18-19,22H,2-6,11-16H2,1H3,(H,23,25).
What are the key properties of N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 407.58 g/mol, XLogP of 3.42, 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-[(4-methylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).