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

C19H29N3O5S — CID 17081244

IUPAC1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O5S/c1-19(2,3)22-13-14(12-17(22)23)18(24)21-15-6-8-16(9-7-15)28(25,26)20-10-5-11-27-4/h6-9,14,20H,5,10-13H2,1-4H3,(H,21,24)
InChIKeySTGLZMKDJFSBRF-UHFFFAOYSA-N
MW411.52 g/mol
LogP1.59
Rot. Bonds8

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

1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17081244) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17081244
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C19H29N3O5S/c1-19(2,3)22-13-14(12-17(22)23)18(24)21-15-6-8-16(9-7-15)28(25,26)20-10-5-11-27-4/h6-9,14,20H,5,10-13H2,1-4H3,(H,21,24)
InChIKeySTGLZMKDJFSBRF-UHFFFAOYSA-N
XLogP1.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypropylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160789
(3R)-1-(3,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40964184
1-(2,4-dimethylphenyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17152203
(3S)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 7438332
1-tert-butyl-5-oxo-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 6497371
1-tert-butyl-5-oxo-N-(4-piperidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 6497362
(3S)-N-[4-(ethylsulfamoyl)phenyl]-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9373536
(3R)-1-tert-butyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 29450765
(3S)-N-(4-bromophenyl)-1-tert-butyl-5-oxopyrrolidine-3-carboxamide
CID 9352311
1-(4-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17119336
1-(2-chlorobenzoyl)-N-[4-(3-methoxypropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223515
1-(4-acetamidophenyl)-N-[4-(butylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17120183

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17081244) is 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is COCCCNS(=O)(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)cc1.
What is the InChIKey of 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is STGLZMKDJFSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-19(2,3)22-13-14(12-17(22)23)18(24)21-15-6-8-16(9-7-15)28(25,26)20-10-5-11-27-4/h6-9,14,20H,5,10-13H2,1-4H3,(H,21,24).
What are the key properties of 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 411.52 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-(3-methoxypropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17081244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).