N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide

C21H27N3O3S — CID 175544197

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)CN2)cc1
InChIInChI=1S/C21H27N3O3S/c1-21(2,3)24-28(26,27)18-11-9-17(10-12-18)23-20(25)19-13-16(14-22-19)15-7-5-4-6-8-15/h4-12,16,19,22,24H,13-14H2,1-3H3,(H,23,25)
InChIKeyRCQKAWVVVKBYNF-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.85
Rot. Bonds5

About N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide

N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide (PubChem CID 175544197) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide
PubChem CID175544197
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)CN2)cc1
InChIInChI=1S/C21H27N3O3S/c1-21(2,3)24-28(26,27)18-11-9-17(10-12-18)23-20(25)19-13-16(14-22-19)15-7-5-4-6-8-15/h4-12,16,19,22,24H,13-14H2,1-3H3,(H,23,25)
InChIKeyRCQKAWVVVKBYNF-UHFFFAOYSA-N
XLogP2.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
N-[4-(tert-butylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 1295481
methyl (2S,4R)-4-phenylpyrrolidine-2-carboxylate
CID 14102971
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343
N-[3-(tert-butylsulfamoyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 119270867
N-[4-(tert-butylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 3391312
N-[3-(tert-butylsulfamoyl)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119270871
(2R,4S)-N-(4-cyclopropylphenyl)-4-methylpyrrolidine-2-carboxamide
CID 175615486
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422
N-[3-(tert-butylsulfamoyl)phenyl]morpholine-3-carboxamide
CID 119688772
(2S,4S)-N-[4-(4-fluorophenoxy)phenyl]-4-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 67010605
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide (CID 175544197) is N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide is CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CC(c3ccccc3)CN2)cc1.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is RCQKAWVVVKBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-21(2,3)24-28(26,27)18-11-9-17(10-12-18)23-20(25)19-13-16(14-22-19)15-7-5-4-6-8-15/h4-12,16,19,22,24H,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide?
N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 175544197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).