N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide

C12H9F2NOS — CID 27906837

IUPACN-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2NOS/c1-7-2-3-17-11(7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,1H3,(H,15,16)
InChIKeyNLKQKDBZNGEQPL-UHFFFAOYSA-N
MW253.27 g/mol
LogP3.59
Rot. Bonds2

About N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide

N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide (PubChem CID 27906837) has the molecular formula C12H9F2NOS and a molecular weight of 253.27 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
PubChem CID27906837
Molecular FormulaC12H9F2NOS
Molecular Weight253.27 g/mol
Exact Mass253.04
IUPAC NameN-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C12H9F2NOS/c1-7-2-3-17-11(7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,1H3,(H,15,16)
InChIKeyNLKQKDBZNGEQPL-UHFFFAOYSA-N
XLogP3.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-methylthiophene-2-carboxamide
CID 104938713
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(4-iodophenyl)-3-methylthiophene-2-carboxamide
CID 7927248
N-(4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 26087540
3-methyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 30388319
N-(3-amino-4-methylphenyl)-3-methylthiophene-2-carboxamide
CID 24690358
N-(3-bromophenyl)-3-methylthiophene-2-carboxamide
CID 3480316
3-methyl-N-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 7900704
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 2546301
N-(3-amino-4-chlorophenyl)-3-methylthiophene-2-carboxamide
CID 24697524
N-(5-amino-2,4-difluorophenyl)-3-methylthiophene-2-carboxamide
CID 43549824
N-(3,5-difluorophenyl)-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
CID 63796739

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide (CID 27906837) is N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide?
The InChIKey is NLKQKDBZNGEQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NOS/c1-7-2-3-17-11(7)12(16)15-10-5-8(13)4-9(14)6-10/h2-6H,1H3,(H,15,16).
What are the key properties of N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide?
N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide has a molecular weight of 253.27 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 27906837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).