N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

C15H14F3NO3S2 — CID 55567347

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S2/c1-10-7-8-23-13(10)9-19(2)14(20)11-3-5-12(6-4-11)24(21,22)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyZWGBDPGPAJWOFK-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.62
Rot. Bonds4

About N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 55567347) has the molecular formula C15H14F3NO3S2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
PubChem CID55567347
Molecular FormulaC15H14F3NO3S2
Molecular Weight377.41 g/mol
Exact Mass377.04
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide
SMILESCc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO3S2/c1-10-7-8-23-13(10)9-19(2)14(20)11-3-5-12(6-4-11)24(21,22)15(16,17)18/h3-8H,9H2,1-2H3
InChIKeyZWGBDPGPAJWOFK-UHFFFAOYSA-N
XLogP3.62
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)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

4-bromo-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 60651279
N-methyl-4-[(4-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020403
N-methyl-4-[(2-methylphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020437
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 9020441
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(trifluoromethylsulfonyl)benzamide
CID 35746005
N,2-dimethyl-5-(methylsulfamoyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 51328637
3-bromo-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 113460696
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 8749161
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-methyl-4-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-3-nitrobenzamide
CID 18115430
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-1H-indole-5-carboxamide
CID 63717490
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51181597

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide (CID 55567347) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is ZWGBDPGPAJWOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO3S2/c1-10-7-8-23-13(10)9-19(2)14(20)11-3-5-12(6-4-11)24(21,22)15(16,17)18/h3-8H,9H2,1-2H3.
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 377.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 55567347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).