5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

C19H15F2NO2S — CID 46083095

IUPAC5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C19H15F2NO2S/c1-24-14-5-2-12(3-6-14)11-22-19(23)18-9-8-17(25-18)13-4-7-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyBDZRPLGZUILPHS-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.63
Rot. Bonds5

About 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide

5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (PubChem CID 46083095) has the molecular formula C19H15F2NO2S and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
PubChem CID46083095
Molecular FormulaC19H15F2NO2S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Name5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C19H15F2NO2S/c1-24-14-5-2-12(3-6-14)11-22-19(23)18-9-8-17(25-18)13-4-7-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23)
InChIKeyBDZRPLGZUILPHS-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 9218538
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[(3-methoxyphenyl)methyl]-5-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 46082949
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 117087642
5-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-[(4-methylsulfanylphenyl)methyl]thiophene-2-carboxamide
CID 53119527
N-hydroxy-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 58657217
N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
methyl 5-[(6-methoxynaphthalen-2-yl)methylcarbamoyl]thiophene-2-carboxylate
CID 35191855
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide (CID 46083095) is 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is COc1ccc(CNC(=O)c2ccc(-c3ccc(F)c(F)c3)s2)cc1.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is BDZRPLGZUILPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO2S/c1-24-14-5-2-12(3-6-14)11-22-19(23)18-9-8-17(25-18)13-4-7-15(20)16(21)10-13/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide?
5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46083095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).