5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide

C17H19F2NOS — CID 92758248

IUPAC5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)C(C)(C)C
InChIInChI=1S/C17H19F2NOS/c1-10(17(2,3)4)20-16(21)15-8-7-14(22-15)11-5-6-12(18)13(19)9-11/h5-10H,1-4H3,(H,20,21)/t10-/m1/s1
InChIKeyRYDUVYDFXDZXRG-SNVBAGLBSA-N
MW323.41 g/mol
LogP4.86
Rot. Bonds3

About 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide

5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide (PubChem CID 92758248) has the molecular formula C17H19F2NOS and a molecular weight of 323.41 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide
PubChem CID92758248
Molecular FormulaC17H19F2NOS
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)C(C)(C)C
InChIInChI=1S/C17H19F2NOS/c1-10(17(2,3)4)20-16(21)15-8-7-14(22-15)11-5-6-12(18)13(19)9-11/h5-10H,1-4H3,(H,20,21)/t10-/m1/s1
InChIKeyRYDUVYDFXDZXRG-SNVBAGLBSA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide (CID 92758248) is 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1ccc(-c2ccc(F)c(F)c2)s1)C(C)(C)C.
What is the InChIKey of 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide?
The InChIKey is RYDUVYDFXDZXRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19F2NOS/c1-10(17(2,3)4)20-16(21)15-8-7-14(22-15)11-5-6-12(18)13(19)9-11/h5-10H,1-4H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide?
5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide has a molecular weight of 323.41 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 92758248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).