N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

C16H16FNOS — CID 30796420

IUPACN-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C16H16FNOS/c1-10(11-2-3-11)18-16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-11H,2-3H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNXWCLJVXWJYQSE-JTQLQIEISA-N
MW289.38 g/mol
LogP4.08
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide

N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 30796420) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID30796420
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC NameN-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1
InChIInChI=1S/C16H16FNOS/c1-10(11-2-3-11)18-16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-11H,2-3H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyNXWCLJVXWJYQSE-JTQLQIEISA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 30796420) is N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is NXWCLJVXWJYQSE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16FNOS/c1-10(11-2-3-11)18-16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-11H,2-3H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 30796420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).