N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide

C19H14F3NO2S — CID 38504188

IUPACN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H14F3NO2S/c20-13-4-2-1-3-12(13)17-7-8-18(26-17)19(25)23-10-16(24)11-5-6-14(21)15(22)9-11/h1-9,16,24H,10H2,(H,23,25)/t16-/m0/s1
InChIKeyOVGHVYBYIDDDBI-INIZCTEOSA-N
MW377.39 g/mol
LogP4.30
Rot. Bonds5

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

N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide (PubChem CID 38504188) has the molecular formula C19H14F3NO2S and a molecular weight of 377.39 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
PubChem CID38504188
Molecular FormulaC19H14F3NO2S
Molecular Weight377.39 g/mol
Exact Mass377.07
IUPAC NameN-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(-c2ccccc2F)s1
InChIInChI=1S/C19H14F3NO2S/c20-13-4-2-1-3-12(13)17-7-8-18(26-17)19(25)23-10-16(24)11-5-6-14(21)15(22)9-11/h1-9,16,24H,10H2,(H,23,25)/t16-/m0/s1
InChIKeyOVGHVYBYIDDDBI-INIZCTEOSA-N
XLogP4.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide (CID 38504188) is N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide is O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc(-c2ccccc2F)s1.
What is the InChIKey of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is OVGHVYBYIDDDBI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H14F3NO2S/c20-13-4-2-1-3-12(13)17-7-8-18(26-17)19(25)23-10-16(24)11-5-6-14(21)15(22)9-11/h1-9,16,24H,10H2,(H,23,25)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide?
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 38504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).