N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide

C23H23F2NOS — CID 58319280

IUPACN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2ccc(-c3cccc(C(C)C)c3)s2)cc1F
InChIInChI=1S/C23H23F2NOS/c1-13(2)16-6-5-7-17(10-16)21-8-9-22(28-21)23(27)26-15(4)18-11-19(24)14(3)20(25)12-18/h5-13,15H,1-4H3,(H,26,27)/t15-/m1/s1
InChIKeyHYTROYFDILSZKS-OAHLLOKOSA-N
MW399.51 g/mol
LogP6.62
Rot. Bonds5

About N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide

N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide (PubChem CID 58319280) has the molecular formula C23H23F2NOS and a molecular weight of 399.51 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide
PubChem CID58319280
Molecular FormulaC23H23F2NOS
Molecular Weight399.51 g/mol
Exact Mass399.15
IUPAC NameN-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide
SMILESCc1c(F)cc([C@@H](C)NC(=O)c2ccc(-c3cccc(C(C)C)c3)s2)cc1F
InChIInChI=1S/C23H23F2NOS/c1-13(2)16-6-5-7-17(10-16)21-8-9-22(28-21)23(27)26-15(4)18-11-19(24)14(3)20(25)12-18/h5-13,15H,1-4H3,(H,26,27)/t15-/m1/s1
InChIKeyHYTROYFDILSZKS-OAHLLOKOSA-N
XLogP6.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.51
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide (CID 58319280) is N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide is Cc1c(F)cc([C@@H](C)NC(=O)c2ccc(-c3cccc(C(C)C)c3)s2)cc1F.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
The InChIKey is HYTROYFDILSZKS-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23F2NOS/c1-13(2)16-6-5-7-17(10-16)21-8-9-22(28-21)23(27)26-15(4)18-11-19(24)14(3)20(25)12-18/h5-13,15H,1-4H3,(H,26,27)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide?
N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 6.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-4-methylphenyl)ethyl]-5-(3-propan-2-ylphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 58319280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).