1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H29N3O6S — CID 55638396

IUPAC1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCc3ccc(O)c(OC)c3)CC2=O)cc1
InChIInChI=1S/C23H29N3O6S/c1-4-25(5-2)33(30,31)19-9-7-18(8-10-19)26-15-17(13-22(26)28)23(29)24-14-16-6-11-20(27)21(12-16)32-3/h6-12,17,27H,4-5,13-15H2,1-3H3,(H,24,29)
InChIKeyYGRDXTWJBRDRHD-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.10
Rot. Bonds9

About 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55638396) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55638396
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCc3ccc(O)c(OC)c3)CC2=O)cc1
InChIInChI=1S/C23H29N3O6S/c1-4-25(5-2)33(30,31)19-9-7-18(8-10-19)26-15-17(13-22(26)28)23(29)24-14-16-6-11-20(27)21(12-16)32-3/h6-12,17,27H,4-5,13-15H2,1-3H3,(H,24,29)
InChIKeyYGRDXTWJBRDRHD-UHFFFAOYSA-N
XLogP2.10
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
1-cyclopentyl-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 71942205
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42994529

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 55638396) is 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2CC(C(=O)NCc3ccc(O)c(OC)c3)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YGRDXTWJBRDRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-4-25(5-2)33(30,31)19-9-7-18(8-10-19)26-15-17(13-22(26)28)23(29)24-14-16-6-11-20(27)21(12-16)32-3/h6-12,17,27H,4-5,13-15H2,1-3H3,(H,24,29).
What are the key properties of 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55638396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).