N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

C19H17FN2O3S2 — CID 53283027

IUPACN-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17FN2O3S2/c1-22(27(24,25)18-6-3-11-26-18)17-9-7-15(8-10-17)19(23)21-13-14-4-2-5-16(20)12-14/h2-12H,13H2,1H3,(H,21,23)
InChIKeyPFDNYTIYBQSBBU-UHFFFAOYSA-N
MW404.49 g/mol
LogP3.64
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide

N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (PubChem CID 53283027) has the molecular formula C19H17FN2O3S2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
PubChem CID53283027
Molecular FormulaC19H17FN2O3S2
Molecular Weight404.49 g/mol
Exact Mass404.07
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
SMILESCN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1cccs1
InChIInChI=1S/C19H17FN2O3S2/c1-22(27(24,25)18-6-3-11-26-18)17-9-7-15(8-10-17)19(23)21-13-14-4-2-5-16(20)12-14/h2-12H,13H2,1H3,(H,21,23)
InChIKeyPFDNYTIYBQSBBU-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide 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-methylphenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide
CID 53283060
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282991
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-prop-2-enylbenzamide
CID 2989459
4-[ethyl(methylsulfonyl)amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 53282813
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-pentan-3-ylbenzamide
CID 53283010
4-[methyl(thiophen-2-ylsulfonyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 27261173
2-chloro-N-[(3-fluorophenyl)methyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 78852465
N-[(3-fluorophenyl)methyl]-4-sulfanylbenzamide
CID 107022080
N-[[3-(dimethylamino)phenyl]methyl]-4-fluorobenzamide
CID 110472543
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
ethyl 4-[methyl(thiophen-2-ylsulfonyl)amino]benzoate
CID 2989771
4-(ethylamino)-N-[(3-fluorophenyl)methyl]benzamide
CID 62165092

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide (CID 53283027) is N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is CN(c1ccc(C(=O)NCc2cccc(F)c2)cc1)S(=O)(=O)c1cccs1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
The InChIKey is PFDNYTIYBQSBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S2/c1-22(27(24,25)18-6-3-11-26-18)17-9-7-15(8-10-17)19(23)21-13-14-4-2-5-16(20)12-14/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide?
N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide has a molecular weight of 404.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]benzamide is sourced from PubChem (CID 53283027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).