(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C18H25N3O4S — CID 8623353

IUPAC(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4S/c1-3-20(4-2)26(24,25)16-9-7-15(8-10-16)21-12-13(11-17(21)22)18(23)19-14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyXWUSOPFWOBUROA-CYBMUJFWSA-N
MW379.48 g/mol
LogP1.35
Rot. Bonds7

About (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 8623353) has the molecular formula C18H25N3O4S and a molecular weight of 379.48 g/mol. Its IUPAC name is (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID8623353
Molecular FormulaC18H25N3O4S
Molecular Weight379.48 g/mol
Exact Mass379.16
IUPAC Name(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1
InChIInChI=1S/C18H25N3O4S/c1-3-20(4-2)26(24,25)16-9-7-15(8-10-16)21-12-13(11-17(21)22)18(23)19-14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,23)/t13-/m1/s1
InChIKeyXWUSOPFWOBUROA-CYBMUJFWSA-N
XLogP1.35
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[4-(dimethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 45491488
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524
1-[4-(diethylsulfamoyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55397711

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 8623353) is (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1.
What is the InChIKey of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XWUSOPFWOBUROA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O4S/c1-3-20(4-2)26(24,25)16-9-7-15(8-10-16)21-12-13(11-17(21)22)18(23)19-14-5-6-14/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.48 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 8623353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).