N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide

C23H21FN2O4S — CID 56566627

IUPACN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C23H21FN2O4S/c1-26(21(22(25)27)17-8-6-10-19(24)14-17)23(28)18-9-5-7-16(13-18)15-31(29,30)20-11-3-2-4-12-20/h2-14,21H,15H2,1H3,(H2,25,27)
InChIKeyXDEMMZAOFMTFHS-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.10
Rot. Bonds7

About N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide (PubChem CID 56566627) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide
PubChem CID56566627
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C23H21FN2O4S/c1-26(21(22(25)27)17-8-6-10-19(24)14-17)23(28)18-9-5-7-16(13-18)15-31(29,30)20-11-3-2-4-12-20/h2-14,21H,15H2,1H3,(H2,25,27)
InChIKeyXDEMMZAOFMTFHS-UHFFFAOYSA-N
XLogP3.10
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide 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

2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
2-[[3-(benzenesulfonylmethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198774
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluorophenyl)methyl]benzamide
CID 118246886
4-(benzenesulfonylmethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 51955516
2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
3-(benzenesulfonylmethyl)-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]benzamide
CID 55786930
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943575
3-(benzenesulfonylmethyl)-N-(1,2-diphenylethyl)benzamide
CID 55773574
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 56566598
N-[3-[[(1S)-2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 95348415

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide (CID 56566627) is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide is CN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide?
The InChIKey is XDEMMZAOFMTFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-26(21(22(25)27)17-8-6-10-19(24)14-17)23(28)18-9-5-7-16(13-18)15-31(29,30)20-11-3-2-4-12-20/h2-14,21H,15H2,1H3,(H2,25,27).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide?
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide has a molecular weight of 440.50 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-(benzenesulfonylmethyl)-N-methylbenzamide is sourced from PubChem (CID 56566627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).