N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C29H32N4O6S — CID 17153926

IUPACN-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1
InChIInChI=1S/C29H32N4O6S/c1-4-32(5-2)40(37,38)24-15-16-26(39-3)25(18-24)31-28(35)20-11-13-22(14-12-20)30-29(36)21-17-27(34)33(19-21)23-9-7-6-8-10-23/h6-16,18,21H,4-5,17,19H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyJPOVKGZDUVFWHY-UHFFFAOYSA-N
MW564.66 g/mol
LogP3.97
Rot. Bonds10

About N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153926) has the molecular formula C29H32N4O6S and a molecular weight of 564.66 g/mol. Its IUPAC name is N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153926
Molecular FormulaC29H32N4O6S
Molecular Weight564.66 g/mol
Exact Mass564.20
IUPAC NameN-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1
InChIInChI=1S/C29H32N4O6S/c1-4-32(5-2)40(37,38)24-15-16-26(39-3)25(18-24)31-28(35)20-11-13-22(14-12-20)30-29(36)21-17-27(34)33(19-21)23-9-7-6-8-10-23/h6-16,18,21H,4-5,17,19H2,1-3H3,(H,30,36)(H,31,35)
InChIKeyJPOVKGZDUVFWHY-UHFFFAOYSA-N
XLogP3.97
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.66
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
(3S)-N-(4-benzamido-2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42588888
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42994529
5-oxo-1-phenyl-N-[4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153935
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153604
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-phenylmethoxybenzamide
CID 5140341

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153926) is N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)c1.
What is the InChIKey of N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JPOVKGZDUVFWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O6S/c1-4-32(5-2)40(37,38)24-15-16-26(39-3)25(18-24)31-28(35)20-11-13-22(14-12-20)30-29(36)21-17-27(34)33(19-21)23-9-7-6-8-10-23/h6-16,18,21H,4-5,17,19H2,1-3H3,(H,30,36)(H,31,35).
What are the key properties of N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 564.66 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).