(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H27N3O4S — CID 40963997

IUPAC(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O
InChIInChI=1S/C22H27N3O4S/c1-15-7-5-6-8-19(15)25-14-16(13-20(25)26)21(27)23-17-9-11-18(12-10-17)30(28,29)24-22(2,3)4/h5-12,16,24H,13-14H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyMINKZQFHNDBGBL-MRXNPFEDSA-N
MW429.54 g/mol
LogP3.06
Rot. Bonds5

About (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 40963997) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID40963997
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O
InChIInChI=1S/C22H27N3O4S/c1-15-7-5-6-8-19(15)25-14-16(13-20(25)26)21(27)23-17-9-11-18(12-10-17)30(28,29)24-22(2,3)4/h5-12,16,24H,13-14H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyMINKZQFHNDBGBL-MRXNPFEDSA-N
XLogP3.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29449318
N-[4-(tert-butylsulfamoyl)phenyl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497648
(3S)-N-(4-acetamidophenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090575
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080804
(3S)-N-(3,4-dimethylphenyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 719074
1-(2-methylphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 84916478
N-[4-(tert-butylsulfamoyl)phenyl]-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118743
1-(2-methylphenyl)-5-oxo-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113185955
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080793
1-(2,4-dimethylphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152171
(3S)-1-(2-fluorophenyl)-5-oxo-N-[4-(propan-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 8623706
3-[[(3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056299

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 40963997) is (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O.
What is the InChIKey of (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MINKZQFHNDBGBL-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-7-5-6-8-19(15)25-14-16(13-20(25)26)21(27)23-17-9-11-18(12-10-17)30(28,29)24-22(2,3)4/h5-12,16,24H,13-14H2,1-4H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40963997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).