N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide

C16H16FNOS — CID 78814368

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1
InChIInChI=1S/C16H16FNOS/c1-11-2-9-15(20-11)16(19)18(14-7-8-14)10-12-3-5-13(17)6-4-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyLGTLMOVTEBJRAK-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.00
Rot. Bonds4

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 78814368) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID78814368
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1
InChIInChI=1S/C16H16FNOS/c1-11-2-9-15(20-11)16(19)18(14-7-8-14)10-12-3-5-13(17)6-4-12/h2-6,9,14H,7-8,10H2,1H3
InChIKeyLGTLMOVTEBJRAK-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 18164963
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
CID 26275149
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33353552
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-N-[[3-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 25290549
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide (CID 78814368) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is LGTLMOVTEBJRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-2-9-15(20-11)16(19)18(14-7-8-14)10-12-3-5-13(17)6-4-12/h2-6,9,14H,7-8,10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 78814368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).