N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide

C18H17NO3S — CID 129356603

IUPACN-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H17NO3S/c1-12-4-2-3-5-14(12)18(21)19-10-15(20)17-7-6-16(22-17)13-8-9-23-11-13/h2-9,11,15,20H,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFSADTHOEYNZEGU-OAHLLOKOSA-N
MW327.41 g/mol
LogP3.78
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide

N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide (PubChem CID 129356603) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
PubChem CID129356603
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H17NO3S/c1-12-4-2-3-5-14(12)18(21)19-10-15(20)17-7-6-16(22-17)13-8-9-23-11-13/h2-9,11,15,20H,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyFSADTHOEYNZEGU-OAHLLOKOSA-N
XLogP3.78
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 122244235
2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 122244233
N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
CID 122244278
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868
3-(2-chlorophenyl)-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129356056
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
N'-[4-(dimethylamino)phenyl]-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356579
N'-[4-(dimethylamino)phenyl]-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 129356578
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide (CID 129356603) is N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide?
The InChIKey is FSADTHOEYNZEGU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-12-4-2-3-5-14(12)18(21)19-10-15(20)17-7-6-16(22-17)13-8-9-23-11-13/h2-9,11,15,20H,10H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide?
N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 129356603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).