(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H23N3O5S — CID 51720732

IUPAC(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1
InChIInChI=1S/C21H23N3O5S/c1-14(25)15-5-4-6-17(11-15)22-21(27)16-12-20(26)24(13-16)18-7-9-19(10-8-18)30(28,29)23(2)3/h4-11,16H,12-13H2,1-3H3,(H,22,27)/t16-/m1/s1
InChIKeyJCHFTVUNSBZWAN-MRXNPFEDSA-N
MW429.50 g/mol
LogP2.13
Rot. Bonds6

About (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 51720732) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID51720732
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1
InChIInChI=1S/C21H23N3O5S/c1-14(25)15-5-4-6-17(11-15)22-21(27)16-12-20(26)24(13-16)18-7-9-19(10-8-18)30(28,29)23(2)3/h4-11,16H,12-13H2,1-3H3,(H,22,27)/t16-/m1/s1
InChIKeyJCHFTVUNSBZWAN-MRXNPFEDSA-N
XLogP2.13
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7279210
N-[4-(dimethylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 85025747
N-(3-acetylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586062
1-(4-chlorophenyl)-N-[3-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55832891
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
(3S)-1-(4-methylphenyl)-N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9071839
(3S)-1-[4-(dimethylsulfamoyl)phenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51721805
1-[4-(dimethylsulfamoyl)phenyl]-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 45495588
3-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 95180907
methyl 3-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192036
(3R)-N-(3-acetylphenyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 39954335

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 51720732) is (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CC(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(C)C)cc3)C2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JCHFTVUNSBZWAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-14(25)15-5-4-6-17(11-15)22-21(27)16-12-20(26)24(13-16)18-7-9-19(10-8-18)30(28,29)23(2)3/h4-11,16H,12-13H2,1-3H3,(H,22,27)/t16-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.50 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51720732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).