N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide

C20H19NO2S — CID 122244278

IUPACN-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C20H19NO2S/c1-14-4-2-3-5-18(14)20(23)21-12-19(22)16-8-6-15(7-9-16)17-10-11-24-13-17/h2-11,13,19,22H,12H2,1H3,(H,21,23)
InChIKeyKYDXRTQSTMPOIQ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.19
Rot. Bonds5

About N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide

N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide (PubChem CID 122244278) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
PubChem CID122244278
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C20H19NO2S/c1-14-4-2-3-5-18(14)20(23)21-12-19(22)16-8-6-15(7-9-16)17-10-11-24-13-17/h2-11,13,19,22H,12H2,1H3,(H,21,23)
InChIKeyKYDXRTQSTMPOIQ-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
N-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-methylbenzamide
CID 95368142
N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126852777
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
N-[2-(4-aminophenyl)-2-hydroxyethyl]-2,3-dimethylbenzamide
CID 43461464
N-(2-hydroxy-2-thiophen-3-ylethyl)-N'-(2-methylphenyl)oxamide
CID 90496639
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
2-methyl-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzamide
CID 16931649
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-(2-methylphenyl)butanamide
CID 111441693

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide (CID 122244278) is N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide?
The InChIKey is KYDXRTQSTMPOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-14-4-2-3-5-18(14)20(23)21-12-19(22)16-8-6-15(7-9-16)17-10-11-24-13-17/h2-11,13,19,22H,12H2,1H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide?
N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide has a molecular weight of 337.44 g/mol, XLogP of 4.19, 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-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 122244278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).