N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide

C14H15NO2S2 — CID 97416773

IUPACN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
SMILESCSc1ccc([C@H](O)CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-18-12-4-2-10(3-5-12)13(16)8-15-14(17)11-6-7-19-9-11/h2-7,9,13,16H,8H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyAJNGHYMLNJDIKC-CYBMUJFWSA-N
MW293.41 g/mol
LogP2.93
Rot. Bonds5

About N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide

N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 97416773) has the molecular formula C14H15NO2S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID97416773
Molecular FormulaC14H15NO2S2
Molecular Weight293.41 g/mol
Exact Mass293.05
IUPAC NameN-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide
SMILESCSc1ccc([C@H](O)CNC(=O)c2ccsc2)cc1
InChIInChI=1S/C14H15NO2S2/c1-18-12-4-2-10(3-5-12)13(16)8-15-14(17)11-6-7-19-9-11/h2-7,9,13,16H,8H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeyAJNGHYMLNJDIKC-CYBMUJFWSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzamide
CID 90581781
methyl 4-[[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]carbamoyl]benzoate
CID 97416840
4-bromo-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-2-carboxamide
CID 97416919
N-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 99903101
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 46440747
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
N-[2-(2-fluorophenyl)-2-hydroxyethyl]thiophene-3-carboxamide
CID 111566262
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
N-(2-methoxy-2-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 71804732
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493
3-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 111578613

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide (CID 97416773) is N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide is CSc1ccc([C@H](O)CNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is AJNGHYMLNJDIKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO2S2/c1-18-12-4-2-10(3-5-12)13(16)8-15-14(17)11-6-7-19-9-11/h2-7,9,13,16H,8H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide?
N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 97416773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).