N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide

C19H23FN2O3S — CID 32905345

IUPACN-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-13-22(2)19(23)14-15-5-9-17(10-6-15)21-26(24,25)18-11-7-16(20)8-12-18/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyPBGCJFOYSROCRB-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.43
Rot. Bonds8

About N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide

N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide (PubChem CID 32905345) has the molecular formula C19H23FN2O3S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
PubChem CID32905345
Molecular FormulaC19H23FN2O3S
Molecular Weight378.47 g/mol
Exact Mass378.14
IUPAC NameN-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
SMILESCCCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H23FN2O3S/c1-3-4-13-22(2)19(23)14-15-5-9-17(10-6-15)21-26(24,25)18-11-7-16(20)8-12-18/h5-12,21H,3-4,13-14H2,1-2H3
InChIKeyPBGCJFOYSROCRB-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide
CID 30288758
N-butyl-2-chloro-5-[(4-fluorophenyl)sulfamoyl]-N-methylbenzamide
CID 32904267
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 55869288
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
4-[(4-fluorophenyl)sulfonylamino]-N,N-dipropylbenzamide
CID 29373604
4-[(4-fluorophenyl)sulfamoyl]-N,N-dipropylbenzamide
CID 29373554
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
CID 62306143
N-butyl-4-[(3,4-difluorophenyl)sulfamoyl]-N-methylbenzamide
CID 109061461
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide (CID 32905345) is N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide is CCCCN(C)C(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
The InChIKey is PBGCJFOYSROCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3S/c1-3-4-13-22(2)19(23)14-15-5-9-17(10-6-15)21-26(24,25)18-11-7-16(20)8-12-18/h5-12,21H,3-4,13-14H2,1-2H3.
What are the key properties of N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide?
N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide has a molecular weight of 378.47 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 32905345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).