N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide

C17H16F2N2O4S — CID 113157714

IUPACN-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16F2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyMGWLRQHXBLQYND-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.57
Rot. Bonds6

About N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide

N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide (PubChem CID 113157714) has the molecular formula C17H16F2N2O4S and a molecular weight of 382.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
PubChem CID113157714
Molecular FormulaC17H16F2N2O4S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC NameN-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1
InChIInChI=1S/C17H16F2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyMGWLRQHXBLQYND-UHFFFAOYSA-N
XLogP2.57
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-3-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 113147280
2-(3-acetamido-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113155767
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 53280757
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
3-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29331543
2-(3-acetyl-N-methylsulfonylanilino)-N-(4-ethylphenyl)acetamide
CID 3324324
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
2-(2,6-diethyl-N-methylsulfonylanilino)-N-(3,4-difluorophenyl)acetamide
CID 113154460
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(3,4-difluoro-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 53280656
3-(N-acetyl-3,4-difluoroanilino)-N-(3-acetylphenyl)propanamide
CID 113135614

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide (CID 113157714) is N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide is CC(=O)c1cccc(NC(=O)CN(c2ccc(F)c(F)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
The InChIKey is MGWLRQHXBLQYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O4S/c1-11(22)12-4-3-5-13(8-12)20-17(23)10-21(26(2,24)25)14-6-7-15(18)16(19)9-14/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide?
N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide has a molecular weight of 382.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113157714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).