N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide

C21H33N3O4S — CID 55359689

IUPACN-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-5-9-14-22(6-2)21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(7-3)8-4/h10-13,17H,5-9,14-16H2,1-4H3
InChIKeyRXMVCQGMWCRCRR-UHFFFAOYSA-N
MW423.58 g/mol
LogP2.72
Rot. Bonds10

About N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide

N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 55359689) has the molecular formula C21H33N3O4S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID55359689
Molecular FormulaC21H33N3O4S
Molecular Weight423.58 g/mol
Exact Mass423.22
IUPAC NameN-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CC)C(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1
InChIInChI=1S/C21H33N3O4S/c1-5-9-14-22(6-2)21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(7-3)8-4/h10-13,17H,5-9,14-16H2,1-4H3
InChIKeyRXMVCQGMWCRCRR-UHFFFAOYSA-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

(3R)-1-[4-(dipropylsulfamoyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 9402557
N-butyl-N-ethyl-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17082044
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
1-[4-(diethylsulfamoyl)phenyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 46515706
N-(2-aminoethyl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 119383439
(3R)-N-cyclopropyl-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8623353
(3R)-N-butyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 9402507
(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
N-butyl-N-ethyl-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120415
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N,N-diethyl-4-[(4R)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 51565671

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide (CID 55359689) is N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide is CCCCN(CC)C(=O)C1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1.
What is the InChIKey of N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RXMVCQGMWCRCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O4S/c1-5-9-14-22(6-2)21(26)17-15-20(25)24(16-17)18-10-12-19(13-11-18)29(27,28)23(7-3)8-4/h10-13,17H,5-9,14-16H2,1-4H3.
What are the key properties of N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide?
N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-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 N-butyl-1-[4-(diethylsulfamoyl)phenyl]-N-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55359689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).