N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C18H27N3O4S — CID 55607249

IUPACN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(C(C)C)C2)c1C
InChIInChI=1S/C18H27N3O4S/c1-11(2)21-10-14(8-17(21)22)18(23)19-16-9-15(7-12(3)13(16)4)26(24,25)20(5)6/h7,9,11,14H,8,10H2,1-6H3,(H,19,23)
InChIKeyFRMHIUCDIKLXGM-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.75
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 55607249) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID55607249
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(C(C)C)C2)c1C
InChIInChI=1S/C18H27N3O4S/c1-11(2)21-10-14(8-17(21)22)18(23)19-16-9-15(7-12(3)13(16)4)26(24,25)20(5)6/h7,9,11,14H,8,10H2,1-6H3,(H,19,23)
InChIKeyFRMHIUCDIKLXGM-UHFFFAOYSA-N
XLogP1.75
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 16564341
N-(2,5-dimethylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 651651
3-amino-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119692566
(3S)-N-(2,5-dichlorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9400597
(3S)-N-(2,4-dibromophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 1284893
(3R)-N-(4-bromo-3-methylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 796285
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 34234365
(2S,5R)-5-(aminomethyl)-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]oxolane-2-carboxamide
CID 120784610
(3R)-N-(2-carbamoylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401166
N-[4-(dimethylcarbamoyl)phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119798
N-(2,4-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 47052070
N-(2,5-dimethylphenyl)sulfonyl-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 47052058

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 55607249) is N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(C(C)C)C2)c1C.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is FRMHIUCDIKLXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-11(2)21-10-14(8-17(21)22)18(23)19-16-9-15(7-12(3)13(16)4)26(24,25)20(5)6/h7,9,11,14H,8,10H2,1-6H3,(H,19,23).
What are the key properties of N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55607249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).