N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide

C24H31N3O3S — CID 145462057

IUPACN-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide
SMILESCCCC1C(=O)C(c2ccccc2)(c2cccc(CCN(CC)S(C)(=O)=O)c2)N=C1N
InChIInChI=1S/C24H31N3O3S/c1-4-10-21-22(28)24(26-23(21)25,19-12-7-6-8-13-19)20-14-9-11-18(17-20)15-16-27(5-2)31(3,29)30/h6-9,11-14,17,21H,4-5,10,15-16H2,1-3H3,(H2,25,26)
InChIKeyOIXSREPFKWSINM-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.11
Rot. Bonds9

About N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide

N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide (PubChem CID 145462057) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide
PubChem CID145462057
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC NameN-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide
SMILESCCCC1C(=O)C(c2ccccc2)(c2cccc(CCN(CC)S(C)(=O)=O)c2)N=C1N
InChIInChI=1S/C24H31N3O3S/c1-4-10-21-22(28)24(26-23(21)25,19-12-7-6-8-13-19)20-14-9-11-18(17-20)15-16-27(5-2)31(3,29)30/h6-9,11-14,17,21H,4-5,10,15-16H2,1-3H3,(H2,25,26)
InChIKeyOIXSREPFKWSINM-UHFFFAOYSA-N
XLogP3.11
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide 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-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide (CID 145462057) is N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide is CCCC1C(=O)C(c2ccccc2)(c2cccc(CCN(CC)S(C)(=O)=O)c2)N=C1N.
What is the InChIKey of N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide?
The InChIKey is OIXSREPFKWSINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-4-10-21-22(28)24(26-23(21)25,19-12-7-6-8-13-19)20-14-9-11-18(17-20)15-16-27(5-2)31(3,29)30/h6-9,11-14,17,21H,4-5,10,15-16H2,1-3H3,(H2,25,26).
What are the key properties of N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide?
N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide has a molecular weight of 441.60 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-amino-4-oxo-5-phenyl-3-propyl-3H-pyrrol-5-yl)phenyl]ethyl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 145462057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).