N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

C21H28N2O3S — CID 4173905

IUPACN-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-8-10-20(11-9-18)17-27(25,26)15-12-21(24)22-13-14-23(2)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,22,24)
InChIKeyMOUIGGPVGRVTQL-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.55
Rot. Bonds10

About N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide

N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (PubChem CID 4173905) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
PubChem CID4173905
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccc(CS(=O)(=O)CCC(=O)NCCN(C)Cc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18-8-10-20(11-9-18)17-27(25,26)15-12-21(24)22-13-14-23(2)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,22,24)
InChIKeyMOUIGGPVGRVTQL-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide 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-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide (CID 4173905) is N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is Cc1ccc(CS(=O)(=O)CCC(=O)NCCN(C)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is MOUIGGPVGRVTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18-8-10-20(11-9-18)17-27(25,26)15-12-21(24)22-13-14-23(2)16-19-6-4-3-5-7-19/h3-11H,12-17H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide?
N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 388.53 g/mol, XLogP of 2.55, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-3-[(4-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 4173905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).