N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H25N3O5S2 — CID 43050057

IUPACN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CC(=O)N(c2ccc(SC)cc2)C1
InChIInChI=1S/C22H25N3O5S2/c1-30-20-10-9-18(32(28,29)24-15-3-4-15)12-19(20)23-22(27)14-11-21(26)25(13-14)16-5-7-17(31-2)8-6-16/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H,23,27)
InChIKeyOYIUCXHLFCUBDI-UHFFFAOYSA-N
MW475.59 g/mol
LogP2.85
Rot. Bonds8

About N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43050057) has the molecular formula C22H25N3O5S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43050057
Molecular FormulaC22H25N3O5S2
Molecular Weight475.59 g/mol
Exact Mass475.12
IUPAC NameN-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CC(=O)N(c2ccc(SC)cc2)C1
InChIInChI=1S/C22H25N3O5S2/c1-30-20-10-9-18(32(28,29)24-15-3-4-15)12-19(20)23-22(27)14-11-21(26)25(13-14)16-5-7-17(31-2)8-6-16/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H,23,27)
InChIKeyOYIUCXHLFCUBDI-UHFFFAOYSA-N
XLogP2.85
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43054001
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054003
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42994529
N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484636
(3S)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7278884
N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 55628742
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
N-(5-tert-butyl-2-methoxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3155544
(3R)-N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1260423
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
(3R)-N-(5-tert-butyl-2-methoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7299277

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43050057) is N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C1CC(=O)N(c2ccc(SC)cc2)C1.
What is the InChIKey of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OYIUCXHLFCUBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S2/c1-30-20-10-9-18(32(28,29)24-15-3-4-15)12-19(20)23-22(27)14-11-21(26)25(13-14)16-5-7-17(31-2)8-6-16/h5-10,12,14-15,24H,3-4,11,13H2,1-2H3,(H,23,27).
What are the key properties of N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 475.59 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43050057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).