2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide

C27H37N3O3S — CID 67037769

IUPAC2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(-c2cccc(CN3CCC(NC(=O)CC4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C27H37N3O3S/c1-34(32,33)29-26-12-10-23(11-13-26)24-9-5-8-22(18-24)20-30-16-14-25(15-17-30)28-27(31)19-21-6-3-2-4-7-21/h5,8-13,18,21,25,29H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31)
InChIKeyABBBBMQRMMDVEQ-UHFFFAOYSA-N
MW483.68 g/mol
LogP4.78
Rot. Bonds8

About 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide

2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide (PubChem CID 67037769) has the molecular formula C27H37N3O3S and a molecular weight of 483.68 g/mol. Its IUPAC name is 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide
PubChem CID67037769
Molecular FormulaC27H37N3O3S
Molecular Weight483.68 g/mol
Exact Mass483.26
IUPAC Name2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide
SMILESCS(=O)(=O)Nc1ccc(-c2cccc(CN3CCC(NC(=O)CC4CCCCC4)CC3)c2)cc1
InChIInChI=1S/C27H37N3O3S/c1-34(32,33)29-26-12-10-23(11-13-26)24-9-5-8-22(18-24)20-30-16-14-25(15-17-30)28-27(31)19-21-6-3-2-4-7-21/h5,8-13,18,21,25,29H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31)
InChIKeyABBBBMQRMMDVEQ-UHFFFAOYSA-N
XLogP4.78
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide
CID 67038742
2-cyclohexyl-N-[1-[[4-[4-(methanesulfonamido)-2,6-dimethylphenoxy]phenyl]methyl]piperidin-4-yl]acetamide;hydrochloride
CID 67038100
3-cyclohexyl-N-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]propanamide;hydrochloride
CID 67038765
1-cyclohexyl-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67037946
1-(2-cyclohexylethyl)-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038433
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
1-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]-3-propan-2-ylurea
CID 134801782
2-cyclopentyl-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 60580220
2-fluoro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800198
N-[3-[[4-(2-aminoethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 174728615
3-[1-[[3-(3,4-difluorophenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796413
N-[2-[[N-(1-benzylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110986629

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide (CID 67037769) is 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide is CS(=O)(=O)Nc1ccc(-c2cccc(CN3CCC(NC(=O)CC4CCCCC4)CC3)c2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ABBBBMQRMMDVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3S/c1-34(32,33)29-26-12-10-23(11-13-26)24-9-5-8-22(18-24)20-30-16-14-25(15-17-30)28-27(31)19-21-6-3-2-4-7-21/h5,8-13,18,21,25,29H,2-4,6-7,14-17,19-20H2,1H3,(H,28,31).
What are the key properties of 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide?
2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide has a molecular weight of 483.68 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[1-[[3-[4-(methanesulfonamido)phenyl]phenyl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 67037769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).