N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide

C20H19NO2S — CID 71781802

IUPACN-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)18-8-5-13-24-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13,23H,14H2,1H3,(H,21,22)
InChIKeyJXCPSRVCILRUTK-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.05
Rot. Bonds5

About N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide

N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide (PubChem CID 71781802) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide
PubChem CID71781802
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide
SMILESCC(O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)18-8-5-13-24-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13,23H,14H2,1H3,(H,21,22)
InChIKeyJXCPSRVCILRUTK-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide (CID 71781802) is N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide is CC(O)(CNC(=O)c1cccs1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide?
The InChIKey is JXCPSRVCILRUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)18-8-5-13-24-18)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-13,23H,14H2,1H3,(H,21,22).
What are the key properties of N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide?
N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide has a molecular weight of 337.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-2-carboxamide is sourced from PubChem (CID 71781802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).