N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H26N4O4S2 — CID 55906465

IUPACN-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)C2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)s1
InChIInChI=1S/C22H26N4O4S2/c1-4-18-11-15(13-23)22(31-18)24-21(28)16-12-20(27)26(14-16)17-7-9-19(10-8-17)32(29,30)25(5-2)6-3/h7-11,16H,4-6,12,14H2,1-3H3,(H,24,28)
InChIKeyFYDBBJZIJINJJK-UHFFFAOYSA-N
MW474.61 g/mol
LogP3.20
Rot. Bonds8

About N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 55906465) has the molecular formula C22H26N4O4S2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID55906465
Molecular FormulaC22H26N4O4S2
Molecular Weight474.61 g/mol
Exact Mass474.14
IUPAC NameN-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cc(C#N)c(NC(=O)C2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)s1
InChIInChI=1S/C22H26N4O4S2/c1-4-18-11-15(13-23)22(31-18)24-21(28)16-12-20(27)26(14-16)17-7-9-19(10-8-17)32(29,30)25(5-2)6-3/h7-11,16H,4-6,12,14H2,1-3H3,(H,24,28)
InChIKeyFYDBBJZIJINJJK-UHFFFAOYSA-N
XLogP3.20
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 2578218
(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
(3S)-1-[4-(diethylsulfamoyl)phenyl]-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 40972180
(3R)-N-[4-(diethylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40964253
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
ethyl 4-[[1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 17321875
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2963172
(3S)-1-[4-(diethylsulfamoyl)phenyl]-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-5-oxopyrrolidine-3-carboxamide
CID 41137290
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-1-thiophen-2-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55397711
1-[4-(diethylsulfamoyl)phenyl]-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55358524

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 55906465) is N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCc1cc(C#N)c(NC(=O)C2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)s1.
What is the InChIKey of N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FYDBBJZIJINJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4S2/c1-4-18-11-15(13-23)22(31-18)24-21(28)16-12-20(27)26(14-16)17-7-9-19(10-8-17)32(29,30)25(5-2)6-3/h7-11,16H,4-6,12,14H2,1-3H3,(H,24,28).
What are the key properties of N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5-ethylthiophen-2-yl)-1-[4-(diethylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55906465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).