N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide

C22H32N4O5S — CID 12884407

IUPACN-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C22H32N4O5S/c1-16-5-9-18(10-6-16)24-21(28)25-32(30,31)19-11-7-17(8-12-19)13-14-23-22(29)26-15-3-2-4-20(26)27/h7-8,11-12,16,18H,2-6,9-10,13-15H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyHPIOHZXEPMWUNO-UHFFFAOYSA-N
MW464.59 g/mol
LogP2.52
Rot. Bonds6

About N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide

N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide (PubChem CID 12884407) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide
PubChem CID12884407
Molecular FormulaC22H32N4O5S
Molecular Weight464.59 g/mol
Exact Mass464.21
IUPAC NameN-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide
SMILESCC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3CCCCC3=O)cc2)CC1
InChIInChI=1S/C22H32N4O5S/c1-16-5-9-18(10-6-16)24-21(28)25-32(30,31)19-11-7-17(8-12-19)13-14-23-22(29)26-15-3-2-4-20(26)27/h7-8,11-12,16,18H,2-6,9-10,13-15H2,1H3,(H,23,29)(H2,24,25,28)
InChIKeyHPIOHZXEPMWUNO-UHFFFAOYSA-N
XLogP2.52
TPSA124.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-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

1H-Pyrrole-1-carboxamide, 3-ethyl-2,5-dihydro-4-methyl-N-2-4-(trans-4-methylcyclohexyl)aminocarbonylaminosulfonylphenylethyl-2-oxo-
CID 3476
2-(7-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 155549031
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
N-cyclohexyl-4-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 1006987
4-(3-oxo-3-piperidin-1-ylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 1090373
1-[(4-methylphenyl)sulfonyl]-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 3240900
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5389497
1-[(4-methylphenyl)sulfonyl]-N-{(2S)-1-oxo-1-[(2-phenylethyl)amino]propan-2-yl}piperidine-4-carboxamide
CID 5389631
1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-D-prolyl-L-leucylglycinamide
CID 16396689
1-(1-((2S,3S)-3-methyl-2-(4-methylphenylsulfonamido)pentanoyl)piperidine-4-carbonyl)piperidine-4-carboxamide
CID 16400039

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The IUPAC name of N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide (CID 12884407) is N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The canonical SMILES for N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide is CC1CCC(NC(=O)NS(=O)(=O)c2ccc(CCNC(=O)N3CCCCC3=O)cc2)CC1.
What is the InChIKey of N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
The InChIKey is HPIOHZXEPMWUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-16-5-9-18(10-6-16)24-21(28)25-32(30,31)19-11-7-17(8-12-19)13-14-23-22(29)26-15-3-2-4-20(26)27/h7-8,11-12,16,18H,2-6,9-10,13-15H2,1H3,(H,23,29)(H2,24,25,28).
What are the key properties of N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide?
N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-methylcyclohexyl)carbamoylsulfamoyl]phenyl]ethyl]-2-oxopiperidine-1-carboxamide is sourced from PubChem (CID 12884407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).