N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide

C23H30N4O4S — CID 155962922

IUPACN-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESCCS(=O)(=O)c1ccccc1CCNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H30N4O4S/c1-2-32(30,31)21-11-7-6-8-18(21)12-15-24-23(29)27-16-13-20(14-17-27)26-22(28)25-19-9-4-3-5-10-19/h3-11,20H,2,12-17H2,1H3,(H,24,29)(H2,25,26,28)
InChIKeyNUBMSZLOTQCPPH-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide

N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide (PubChem CID 155962922) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide
PubChem CID155962922
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC NameN-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide
SMILESCCS(=O)(=O)c1ccccc1CCNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H30N4O4S/c1-2-32(30,31)21-11-7-6-8-18(21)12-15-24-23(29)27-16-13-20(14-17-27)26-22(28)25-19-9-4-3-5-10-19/h3-11,20H,2,12-17H2,1H3,(H,24,29)(H2,25,26,28)
InChIKeyNUBMSZLOTQCPPH-UHFFFAOYSA-N
XLogP3.02
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide (CID 155962922) is N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide is CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1.
What is the InChIKey of N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
The InChIKey is NUBMSZLOTQCPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-2-32(30,31)21-11-7-6-8-18(21)12-15-24-23(29)27-16-13-20(14-17-27)26-22(28)25-19-9-4-3-5-10-19/h3-11,20H,2,12-17H2,1H3,(H,24,29)(H2,25,26,28).
What are the key properties of N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide?
N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylsulfonylphenyl)ethyl]-4-(phenylcarbamoylamino)piperidine-1-carboxamide is sourced from PubChem (CID 155962922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).