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

C17H17FN2O2S — CID 18164963

IUPAC5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1
InChIInChI=1S/C17H17FN2O2S/c1-11(21)19-16-9-8-15(23-16)17(22)20(14-6-7-14)10-12-2-4-13(18)5-3-12/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21)
InChIKeyJTUFUUXWCJYVBE-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.65
Rot. Bonds5

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

5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (PubChem CID 18164963) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
PubChem CID18164963
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1
InChIInChI=1S/C17H17FN2O2S/c1-11(21)19-16-9-8-15(23-16)17(22)20(14-6-7-14)10-12-2-4-13(18)5-3-12/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21)
InChIKeyJTUFUUXWCJYVBE-UHFFFAOYSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
N-cyclopropyl-5-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33353552
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
N-[5-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55510046
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 46565714
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308
N-cyclopropyl-5-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 33351813
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-5-methylthiophene-2-carboxamide
CID 26275149
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
N-[(4-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,5-difluorobenzamide
CID 23738640

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide (CID 18164963) is 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)s1.
What is the InChIKey of 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
The InChIKey is JTUFUUXWCJYVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-11(21)19-16-9-8-15(23-16)17(22)20(14-6-7-14)10-12-2-4-13(18)5-3-12/h2-5,8-9,14H,6-7,10H2,1H3,(H,19,21).
What are the key properties of 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide?
5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-cyclopropyl-N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 18164963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).