3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide

C16H13F2NO2S2 — CID 86954319

IUPAC3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2sccc2SC(F)F)oc2ccccc12
InChIInChI=1S/C16H13F2NO2S2/c1-9-10-4-2-3-5-11(10)21-12(9)8-19-15(20)14-13(6-7-22-14)23-16(17)18/h2-7,16H,8H2,1H3,(H,19,20)
InChIKeyMZPBWVGJNSYGSM-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.05
Rot. Bonds5

About 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide

3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 86954319) has the molecular formula C16H13F2NO2S2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
PubChem CID86954319
Molecular FormulaC16H13F2NO2S2
Molecular Weight353.42 g/mol
Exact Mass353.04
IUPAC Name3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide
SMILESCc1c(CNC(=O)c2sccc2SC(F)F)oc2ccccc12
InChIInChI=1S/C16H13F2NO2S2/c1-9-10-4-2-3-5-11(10)21-12(9)8-19-15(20)14-13(6-7-22-14)23-16(17)18/h2-7,16H,8H2,1H3,(H,19,20)
InChIKeyMZPBWVGJNSYGSM-UHFFFAOYSA-N
XLogP5.05
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide 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-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
1,1,2-trimethyl-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine;hydroiodide
CID 111603498
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
1-(4-hydroxy-2-methylpentyl)-3-[(3-methyl-1-benzofuran-2-yl)methyl]urea
CID 111455542
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
3-(difluoromethylsulfanyl)-N-[(3-hydroxycyclohexyl)methyl]thiophene-2-carboxamide
CID 111459782
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
N-[4-(difluoromethylsulfanyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 7944836

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide (CID 86954319) is 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide is Cc1c(CNC(=O)c2sccc2SC(F)F)oc2ccccc12.
What is the InChIKey of 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is MZPBWVGJNSYGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO2S2/c1-9-10-4-2-3-5-11(10)21-12(9)8-19-15(20)14-13(6-7-22-14)23-16(17)18/h2-7,16H,8H2,1H3,(H,19,20).
What are the key properties of 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide?
3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 86954319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).