N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide

C22H28FN3O3S — CID 55837399

IUPACN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28FN3O3S/c1-16-9-10-19(14-21(16)30(28,29)25(2)3)24-22(27)15-26-11-5-8-20(26)13-17-6-4-7-18(23)12-17/h4,6-7,9-10,12,14,20H,5,8,11,13,15H2,1-3H3,(H,24,27)
InChIKeySETYIMNSQTZKNO-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.03
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide

N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide (PubChem CID 55837399) has the molecular formula C22H28FN3O3S and a molecular weight of 433.55 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
PubChem CID55837399
Molecular FormulaC22H28FN3O3S
Molecular Weight433.55 g/mol
Exact Mass433.18
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H28FN3O3S/c1-16-9-10-19(14-21(16)30(28,29)25(2)3)24-22(27)15-26-11-5-8-20(26)13-17-6-4-7-18(23)12-17/h4,6-7,9-10,12,14,20H,5,8,11,13,15H2,1-3H3,(H,24,27)
InChIKeySETYIMNSQTZKNO-UHFFFAOYSA-N
XLogP3.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
2-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 100901454
2-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 96535035
2-(4-aminopiperidin-1-yl)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide;hydrochloride
CID 119907721
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
3-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55805326
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908447
N-[(2-fluorophenyl)methyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-N-methylacetamide
CID 55827853
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908446
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 56542928

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide (CID 55837399) is N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCCC2Cc2cccc(F)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
The InChIKey is SETYIMNSQTZKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3S/c1-16-9-10-19(14-21(16)30(28,29)25(2)3)24-22(27)15-26-11-5-8-20(26)13-17-6-4-7-18(23)12-17/h4,6-7,9-10,12,14,20H,5,8,11,13,15H2,1-3H3,(H,24,27).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55837399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).