1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

C19H29N3O4S — CID 17082636

IUPAC1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O
InChIInChI=1S/C19H29N3O4S/c1-5-6-11-22-13-14(12-17(22)23)18(24)20-15-7-9-16(10-8-15)27(25,26)21-19(2,3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,20,24)
InChIKeyQAIXOOFECBSSTM-UHFFFAOYSA-N
MW395.53 g/mol
LogP2.35
Rot. Bonds7

About 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide

1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17082636) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17082636
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O
InChIInChI=1S/C19H29N3O4S/c1-5-6-11-22-13-14(12-17(22)23)18(24)20-15-7-9-16(10-8-15)27(25,26)21-19(2,3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,20,24)
InChIKeyQAIXOOFECBSSTM-UHFFFAOYSA-N
XLogP2.35
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
N-[4-(diethylamino)phenyl]-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185750
1-butyl-N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082673
1-butyl-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 17082688
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719
1-butyl-N-[4-[[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153581
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
(3R)-N-[4-(tert-butylsulfamoyl)phenyl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40963997

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17082636) is 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QAIXOOFECBSSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-5-6-11-22-13-14(12-17(22)23)18(24)20-15-7-9-16(10-8-15)27(25,26)21-19(2,3)4/h7-10,14,21H,5-6,11-13H2,1-4H3,(H,20,24).
What are the key properties of 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(tert-butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17082636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).