2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide

C15H17FN2OS — CID 53383645

IUPAC2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(F)cc2)c(N)s1
InChIInChI=1S/C15H17FN2OS/c1-9(2)13-7-12(14(17)20-13)15(19)18-8-10-3-5-11(16)6-4-10/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyKOGMPBCSTVXPMN-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide

2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide (PubChem CID 53383645) has the molecular formula C15H17FN2OS and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide
PubChem CID53383645
Molecular FormulaC15H17FN2OS
Molecular Weight292.38 g/mol
Exact Mass292.10
IUPAC Name2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCc2ccc(F)cc2)c(N)s1
InChIInChI=1S/C15H17FN2OS/c1-9(2)13-7-12(14(17)20-13)15(19)18-8-10-3-5-11(16)6-4-10/h3-7,9H,8,17H2,1-2H3,(H,18,19)
InChIKeyKOGMPBCSTVXPMN-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide (CID 53383645) is 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide is CC(C)c1cc(C(=O)NCc2ccc(F)cc2)c(N)s1.
What is the InChIKey of 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide?
The InChIKey is KOGMPBCSTVXPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2OS/c1-9(2)13-7-12(14(17)20-13)15(19)18-8-10-3-5-11(16)6-4-10/h3-7,9H,8,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide?
2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-fluorophenyl)methyl]-5-propan-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 53383645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).