1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide

C22H35N3O3S — CID 53110533

IUPAC1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-18-8-4-7-16-25(18)17-15-23-21(26)22(13-5-3-6-14-22)19-9-11-20(12-10-19)24-29(2,27)28/h9-12,18,24H,3-8,13-17H2,1-2H3,(H,23,26)
InChIKeyBHKHTFKKEYPUTJ-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.25
Rot. Bonds7

About 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide

1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 53110533) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID53110533
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC Name1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCCCN1CCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1
InChIInChI=1S/C22H35N3O3S/c1-18-8-4-7-16-25(18)17-15-23-21(26)22(13-5-3-6-14-22)19-9-11-20(12-10-19)24-29(2,27)28/h9-12,18,24H,3-8,13-17H2,1-2H3,(H,23,26)
InChIKeyBHKHTFKKEYPUTJ-UHFFFAOYSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide 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

4-(4-fluorophenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674202
1-(4-bromophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide
CID 47036265
1-[4-(methanesulfonamido)phenyl]-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 50822356
4-(2-methylphenyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94676201
1-[4-(methanesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827021
N-butan-2-yl-1-[4-(methanesulfonamido)phenyl]cyclohexane-1-carboxamide
CID 53110461
1-(4-methoxyphenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133187938
4-(3-fluorophenyl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxane-4-carboxamide
CID 94674198
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 133188306
3-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
1-[4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 53110672
1-[4-(methanesulfonamido)phenyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 53110497

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide (CID 53110533) is 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide is CC1CCCCN1CCNC(=O)C1(c2ccc(NS(C)(=O)=O)cc2)CCCCC1.
What is the InChIKey of 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BHKHTFKKEYPUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-18-8-4-7-16-25(18)17-15-23-21(26)22(13-5-3-6-14-22)19-9-11-20(12-10-19)24-29(2,27)28/h9-12,18,24H,3-8,13-17H2,1-2H3,(H,23,26).
What are the key properties of 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide?
1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methanesulfonamido)phenyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 53110533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).