N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide

C17H27N3O3S — CID 119798990

IUPACN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O3S/c1-12-7-8-14(19-16(21)11-13-6-5-9-18-13)10-15(12)24(22,23)20-17(2,3)4/h7-8,10,13,18,20H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyXZQIUORRPNLDLM-UHFFFAOYSA-N
MW353.49 g/mol
LogP2.15
Rot. Bonds5

About N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide

N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119798990) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119798990
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC NameN-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1ccc(NC(=O)CC2CCCN2)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O3S/c1-12-7-8-14(19-16(21)11-13-6-5-9-18-13)10-15(12)24(22,23)20-17(2,3)4/h7-8,10,13,18,20H,5-6,9,11H2,1-4H3,(H,19,21)
InChIKeyXZQIUORRPNLDLM-UHFFFAOYSA-N
XLogP2.15
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]-2-pyrrolidin-2-ylacetamide
CID 119797457
N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119751238
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
N-[3-(tert-butylsulfonylmethyl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119784319
N-[4-(ethylsulfonylamino)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711145
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-[4-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]benzamide
CID 119725877
N-(4-methyl-3-sulfamoylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935518
N-[3-methyl-4-(oxan-4-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119792152

Frequently Asked Questions

What is the IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide (CID 119798990) is N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide is Cc1ccc(NC(=O)CC2CCCN2)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is XZQIUORRPNLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-7-8-14(19-16(21)11-13-6-5-9-18-13)10-15(12)24(22,23)20-17(2,3)4/h7-8,10,13,18,20H,5-6,9,11H2,1-4H3,(H,19,21).
What are the key properties of N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide?
N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 353.49 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tert-butylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119798990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).