(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C23H35N3O4S — CID 40830625

IUPAC(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1
InChIInChI=1S/C23H35N3O4S/c1-3-14-25(15-4-2)31(29,30)21-12-10-19(11-13-21)24-23(28)18-16-22(27)26(17-18)20-8-6-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyMKVOGCWFGHDEPW-SFHVURJKSA-N
MW449.62 g/mol
LogP3.62
Rot. Bonds9

About (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40830625) has the molecular formula C23H35N3O4S and a molecular weight of 449.62 g/mol. Its IUPAC name is (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40830625
Molecular FormulaC23H35N3O4S
Molecular Weight449.62 g/mol
Exact Mass449.23
IUPAC Name(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1
InChIInChI=1S/C23H35N3O4S/c1-3-14-25(15-4-2)31(29,30)21-12-10-19(11-13-21)24-23(28)18-16-22(27)26(17-18)20-8-6-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3,(H,24,28)/t18-/m0/s1
InChIKeyMKVOGCWFGHDEPW-SFHVURJKSA-N
XLogP3.62
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dipropylsulfamoyl)phenyl]cyclohexanecarboxamide
CID 1213799
(3S)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 7336952
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
(3S)-1-cyclohexyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 51698449
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
propyl 4-[[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40830394
1-cyclopentyl-5-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17081418
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120453

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 40830625) is (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1.
What is the InChIKey of (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MKVOGCWFGHDEPW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H35N3O4S/c1-3-14-25(15-4-2)31(29,30)21-12-10-19(11-13-21)24-23(28)18-16-22(27)26(17-18)20-8-6-5-7-9-20/h10-13,18,20H,3-9,14-17H2,1-2H3,(H,24,28)/t18-/m0/s1.
What are the key properties of (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40830625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).