(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C21H33N3O4S — CID 9402507

IUPAC(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CCC)CCC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-4-7-12-22-21(26)17-15-20(25)24(16-17)18-8-10-19(11-9-18)29(27,28)23(13-5-2)14-6-3/h8-11,17H,4-7,12-16H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyKKYNIDOSKXJGMS-QGZVFWFLSA-N
MW423.58 g/mol
LogP2.77
Rot. Bonds11

About (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9402507) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9402507
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CCC)CCC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-4-7-12-22-21(26)17-15-20(25)24(16-17)18-8-10-19(11-9-18)29(27,28)23(13-5-2)14-6-3/h8-11,17H,4-7,12-16H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyKKYNIDOSKXJGMS-QGZVFWFLSA-N
XLogP2.77
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
(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-[3-(2-methylimidazol-1-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 55818832
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
1-(4-butylphenyl)-5-oxo-N-[2-(4-sulfamoylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 46585953
N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521

Frequently Asked Questions

What is the IUPAC name of (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 9402507) is (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CCC)CCC)cc2)C1.
What is the InChIKey of (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KKYNIDOSKXJGMS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-4-7-12-22-21(26)17-15-20(25)24(16-17)18-8-10-19(11-9-18)29(27,28)23(13-5-2)14-6-3/h8-11,17H,4-7,12-16H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.77, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9402507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).