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

C23H37N3O3S — CID 46381899

IUPACN-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H37N3O3S/c1-2-6-19-9-11-22(12-10-19)30(28,29)24-16-13-20-14-17-26(18-15-20)23(27)25-21-7-4-3-5-8-21/h9-12,20-21,24H,2-8,13-18H2,1H3,(H,25,27)
InChIKeyYRSLXNOLLZGWOY-UHFFFAOYSA-N
MW435.63 g/mol
LogP4.06
Rot. Bonds8

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

N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (PubChem CID 46381899) has the molecular formula C23H37N3O3S and a molecular weight of 435.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
PubChem CID46381899
Molecular FormulaC23H37N3O3S
Molecular Weight435.63 g/mol
Exact Mass435.26
IUPAC NameN-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide
SMILESCCCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C23H37N3O3S/c1-2-6-19-9-11-22(12-10-19)30(28,29)24-16-13-20-14-17-26(18-15-20)23(27)25-21-7-4-3-5-8-21/h9-12,20-21,24H,2-8,13-18H2,1H3,(H,25,27)
InChIKeyYRSLXNOLLZGWOY-UHFFFAOYSA-N
XLogP4.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.63
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[2-[4-(dodecylcarbamoyl)phenyl]ethyl]piperidine-1-carboxamide
CID 173155726
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813431
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
N-cyclohexyl-4-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]piperidine-1-carboxamide
CID 53057680
N-(2-cyclohexylethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60915978
4-cyclohexyl-N-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]benzenesulfonamide
CID 53103802
4-[2-[(4-cyclohexylphenyl)sulfonylamino]ethyl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46381921
N-cyclohexyl-4-[2-[(4-ethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 46381876
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
4-propyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723443
N-ethyl-4-[4-[2-(4-methoxyphenyl)ethyl]piperidine-1-carbonyl]benzenesulfonamide
CID 46808163
methyl 2-[4-(2-cyclobutylethylsulfamoyl)phenyl]acetate
CID 115690444

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide (CID 46381899) is N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is CCCc1ccc(S(=O)(=O)NCCC2CCN(C(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
The InChIKey is YRSLXNOLLZGWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O3S/c1-2-6-19-9-11-22(12-10-19)30(28,29)24-16-13-20-14-17-26(18-15-20)23(27)25-21-7-4-3-5-8-21/h9-12,20-21,24H,2-8,13-18H2,1H3,(H,25,27).
What are the key properties of N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-[(4-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide has a molecular weight of 435.63 g/mol, XLogP of 4.06, 8 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-propylphenyl)sulfonylamino]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 46381899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).