N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

C19H23FN2O3S — CID 2209357

IUPACN-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-7-15-10-12-16(13-11-15)21-19(23)14-22(26(2,24)25)18-9-6-5-8-17(18)20/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,23)
InChIKeyPVYDUJZMISMDEB-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.57
Rot. Bonds8

About N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide

N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (PubChem CID 2209357) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
PubChem CID2209357
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
SMILESCCCCc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-7-15-10-12-16(13-11-15)21-19(23)14-22(26(2,24)25)18-9-6-5-8-17(18)20/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,23)
InChIKeyPVYDUJZMISMDEB-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095277
N-(4-butylphenyl)-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 17201138
2-(2-ethyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 113154121
N-(4-butylphenyl)-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 126310646
N-(3-bromophenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 1349692
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N-[4-(diethylaminomethyl)phenyl]-2-[N-(dimethylsulfamoyl)-2-fluoroanilino]acetamide
CID 43909013
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(4-butylphenyl)acetamide
CID 2224772
N-(4-butylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 2206356
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
CID 21372897
N-tert-butyl-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 3139233

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide (CID 2209357) is N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is CCCCc1ccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is PVYDUJZMISMDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-4-7-15-10-12-16(13-11-15)21-19(23)14-22(26(2,24)25)18-9-6-5-8-17(18)20/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide?
N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(2-fluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2209357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).