N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

C27H37N3O4S — CID 17120453

IUPACN-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3CC)C2)cc1
InChIInChI=1S/C27H37N3O4S/c1-4-7-17-29(18-8-5-2)35(33,34)24-15-13-23(14-16-24)28-27(32)22-19-26(31)30(20-22)25-12-10-9-11-21(25)6-3/h9-16,22H,4-8,17-20H2,1-3H3,(H,28,32)
InChIKeyXKBYOEQAUFMSEW-UHFFFAOYSA-N
MW499.68 g/mol
LogP4.83
Rot. Bonds12

About N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17120453) has the molecular formula C27H37N3O4S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17120453
Molecular FormulaC27H37N3O4S
Molecular Weight499.68 g/mol
Exact Mass499.25
IUPAC NameN-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3CC)C2)cc1
InChIInChI=1S/C27H37N3O4S/c1-4-7-17-29(18-8-5-2)35(33,34)24-15-13-23(14-16-24)28-27(32)22-19-26(31)30(20-22)25-12-10-9-11-21(25)6-3/h9-16,22H,4-8,17-20H2,1-3H3,(H,28,32)
InChIKeyXKBYOEQAUFMSEW-UHFFFAOYSA-N
XLogP4.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(4-acetamidophenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7220320
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
N-[4-[bis(2-methylpropyl)sulfamoyl]phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080804
(3S)-1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004578
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75809403
methyl 4-[[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 26098178
N-[4-(difluoromethylsulfanyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 112759119
(3R)-N-(4-ethylsulfonylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30179761
1-(2-ethylphenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120527
1-(2-ethylphenyl)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120392
(3S)-1-cyclohexyl-N-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40830625
N-(2,6-diethylphenyl)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186319

Frequently Asked Questions

What is the IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17120453) is N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3CC)C2)cc1.
What is the InChIKey of N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XKBYOEQAUFMSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4S/c1-4-7-17-29(18-8-5-2)35(33,34)24-15-13-23(14-16-24)28-27(32)22-19-26(31)30(20-22)25-12-10-9-11-21(25)6-3/h9-16,22H,4-8,17-20H2,1-3H3,(H,28,32).
What are the key properties of N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 499.68 g/mol, XLogP of 4.83, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dibutylsulfamoyl)phenyl]-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17120453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).