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

C24H31N3O4S — CID 40932453

IUPAC(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C24H31N3O4S/c1-3-14-26(15-4-2)32(30,31)22-12-10-21(11-13-22)27-18-20(16-23(27)28)24(29)25-17-19-8-6-5-7-9-19/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyKKIRGEXYERXVIX-FQEVSTJZSA-N
MW457.60 g/mol
LogP3.17
Rot. Bonds10

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

(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 40932453) has the molecular formula C24H31N3O4S and a molecular weight of 457.60 g/mol. Its IUPAC name is (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID40932453
Molecular FormulaC24H31N3O4S
Molecular Weight457.60 g/mol
Exact Mass457.20
IUPAC Name(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C24H31N3O4S/c1-3-14-26(15-4-2)32(30,31)22-12-10-21(11-13-22)27-18-20(16-23(27)28)24(29)25-17-19-8-6-5-7-9-19/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)/t20-/m0/s1
InChIKeyKKIRGEXYERXVIX-FQEVSTJZSA-N
XLogP3.17
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
(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
(3R)-N-benzyl-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056074
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
1-[4-(diethylsulfamoyl)phenyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55638396

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 40932453) is (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)cc1.
What is the InChIKey of (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KKIRGEXYERXVIX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H31N3O4S/c1-3-14-26(15-4-2)32(30,31)22-12-10-21(11-13-22)27-18-20(16-23(27)28)24(29)25-17-19-8-6-5-7-9-19/h5-13,20H,3-4,14-18H2,1-2H3,(H,25,29)/t20-/m0/s1.
What are the key properties of (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 3.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 40932453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).