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

C21H33N3O4S — CID 9402557

IUPAC(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(CC)CC)CC2=O)cc1
InChIInChI=1S/C21H33N3O4S/c1-5-13-23(14-6-2)29(27,28)19-11-9-18(10-12-19)24-16-17(15-20(24)25)21(26)22(7-3)8-4/h9-12,17H,5-8,13-16H2,1-4H3/t17-/m1/s1
InChIKeyBAEKSRZENPLFFT-QGZVFWFLSA-N
MW423.58 g/mol
LogP2.72
Rot. Bonds10

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

(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 9402557) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID9402557
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC Name(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(CC)CC)CC2=O)cc1
InChIInChI=1S/C21H33N3O4S/c1-5-13-23(14-6-2)29(27,28)19-11-9-18(10-12-19)24-16-17(15-20(24)25)21(26)22(7-3)8-4/h9-12,17H,5-8,13-16H2,1-4H3/t17-/m1/s1
InChIKeyBAEKSRZENPLFFT-QGZVFWFLSA-N
XLogP2.72
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 55359689
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
(3S)-1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 9389070
1-(4-ethylphenyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 17081991
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
(3R)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972179

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide (CID 9402557) is (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N(CC)CC)CC2=O)cc1.
What is the InChIKey of (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BAEKSRZENPLFFT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-5-13-23(14-6-2)29(27,28)19-11-9-18(10-12-19)24-16-17(15-20(24)25)21(26)22(7-3)8-4/h9-12,17H,5-8,13-16H2,1-4H3/t17-/m1/s1.
What are the key properties of (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 423.58 g/mol, XLogP of 2.72, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9402557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).