N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide

C15H23N3O3S — CID 4606555

IUPACN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-12-6-7-13(22(20,21)17(2)3)10-14(12)16-15(19)11-18-8-4-5-9-18/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,19)
InChIKeyDQGVEPXXLHJMEE-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.28
Rot. Bonds5

About N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 4606555) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
PubChem CID4606555
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC1
InChIInChI=1S/C15H23N3O3S/c1-12-6-7-13(22(20,21)17(2)3)10-14(12)16-15(19)11-18-8-4-5-9-18/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,19)
InChIKeyDQGVEPXXLHJMEE-UHFFFAOYSA-N
XLogP1.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}-3-phenylpropanamide
CID 2812928
2-(2,3-dihydroindol-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 2817021
N-ethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 7312501
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
(2S)-N-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1548195
(2S)-N-(4-fluoro-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2474404
N-{5-[(dimethylamino)sulfonyl]-2-methylphenyl}cyclohexanecarboxamide
CID 2812913
1-acetyl-6-(2,3-dihydro-1H-indol-1-ylsulfonyl)indoline
CID 2940687
2,4-Dimethyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 3119448
2-(3-Methyl-piperidin-1-yl)-N-[4-(pyrrolidine-1-sulfonyl)-phenyl]-acetamide
CID 3178246
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide (CID 4606555) is N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN1CCCC1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is DQGVEPXXLHJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-6-7-13(22(20,21)17(2)3)10-14(12)16-15(19)11-18-8-4-5-9-18/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,16,19).
What are the key properties of N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide?
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 325.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 4606555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).