(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C24H28N4O5S — CID 29066813

IUPAC(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)cc1
InChIInChI=1S/C24H28N4O5S/c1-3-26-34(31,32)20-7-4-18(5-8-20)27-24(30)17-12-23(29)28(15-17)11-10-16-14-25-22-9-6-19(33-2)13-21(16)22/h4-9,13-14,17,25-26H,3,10-12,15H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyBWPCTCMRMLGLCD-QGZVFWFLSA-N
MW484.58 g/mol
LogP2.50
Rot. Bonds9

About (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 29066813) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID29066813
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC Name(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)cc1
InChIInChI=1S/C24H28N4O5S/c1-3-26-34(31,32)20-7-4-18(5-8-20)27-24(30)17-12-23(29)28(15-17)11-10-16-14-25-22-9-6-19(33-2)13-21(16)22/h4-9,13-14,17,25-26H,3,10-12,15H2,1-2H3,(H,27,30)/t17-/m1/s1
InChIKeyBWPCTCMRMLGLCD-QGZVFWFLSA-N
XLogP2.50
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 50745077
(3S)-N-(3-acetamidophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42560657
N-(2,5-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17204433
(3S)-N-(2,3-dimethylphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 27890582
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 17204443
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 50745087
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(3-bromophenyl)-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 50745085
4-(chloromethyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168507488
N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
(3R)-1-(4-ethoxyphenyl)-N-[4-(ethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 41002488

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 29066813) is (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(OC)cc34)C2)cc1.
What is the InChIKey of (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWPCTCMRMLGLCD-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-3-26-34(31,32)20-7-4-18(5-8-20)27-24(30)17-12-23(29)28(15-17)11-10-16-14-25-22-9-6-19(33-2)13-21(16)22/h4-9,13-14,17,25-26H,3,10-12,15H2,1-2H3,(H,27,30)/t17-/m1/s1.
What are the key properties of (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 484.58 g/mol, XLogP of 2.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(ethylsulfamoyl)phenyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 29066813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).