N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide

C20H19NO2S — CID 95982804

IUPACN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)17-11-12-24-13-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyUUKKDJKBYWBSGJ-FQEVSTJZSA-N
MW337.44 g/mol
LogP4.05
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide

N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide (PubChem CID 95982804) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide
PubChem CID95982804
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide
SMILESC[C@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)17-11-12-24-13-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,21,22)/t20-/m0/s1
InChIKeyUUKKDJKBYWBSGJ-FQEVSTJZSA-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-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide (CID 95982804) is N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide is C[C@](O)(CNC(=O)c1ccsc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide?
The InChIKey is UUKKDJKBYWBSGJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-20(23,14-21-19(22)17-11-12-24-13-17)18-9-7-16(8-10-18)15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,21,22)/t20-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide?
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-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-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 95982804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).