N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

C19H22FN3O3S — CID 9083867

IUPACN-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-14-7-8-16(12-18(14)20)22-19(24)13-21-15-5-4-6-17(11-15)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24)
InChIKeyFRICFLXJILRCCX-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.97
Rot. Bonds6

About N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide

N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (PubChem CID 9083867) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
PubChem CID9083867
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F
InChIInChI=1S/C19H22FN3O3S/c1-14-7-8-16(12-18(14)20)22-19(24)13-21-15-5-4-6-17(11-15)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24)
InChIKeyFRICFLXJILRCCX-UHFFFAOYSA-N
XLogP2.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[(3-phenylpropyl)amino]sulfonyl}phenyl)acetamide
CID 2164921
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
N-(4-(((1-Methylethyl)(phenylmethyl)amino)sulfonyl)phenyl)acetamide
CID 669165
2-(4-ethylanilino)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 164621917
2-(4-fluoro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 846944
2-[benzyl(methylsulfonyl)amino]-N-(2,6-difluorophenyl)acetamide
CID 1315348
(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
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyrrolidin-1-ylacetamide
CID 4606555
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4852464
(E)-N-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 6111717

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide (CID 9083867) is N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCC3)c2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
The InChIKey is FRICFLXJILRCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-7-8-16(12-18(14)20)22-19(24)13-21-15-5-4-6-17(11-15)27(25,26)23-9-2-3-10-23/h4-8,11-12,21H,2-3,9-10,13H2,1H3,(H,22,24).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 9083867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).