N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide

C18H17NO3S — CID 100687429

IUPACN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO3S/c1-13-6-2-3-7-14(13)17(20)19-12-18(21,15-8-4-10-22-15)16-9-5-11-23-16/h2-11,21H,12H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyNQBYAOJKGGLRDT-SFHVURJKSA-N
MW327.41 g/mol
LogP3.32
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide

N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide (PubChem CID 100687429) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
PubChem CID100687429
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC[C@](O)(c1ccco1)c1cccs1
InChIInChI=1S/C18H17NO3S/c1-13-6-2-3-7-14(13)17(20)19-12-18(21,15-8-4-10-22-15)16-9-5-11-23-16/h2-11,21H,12H2,1H3,(H,19,20)/t18-/m0/s1
InChIKeyNQBYAOJKGGLRDT-SFHVURJKSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide
CID 91816630
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 100688805
N'-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]oxamide
CID 129416529
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1H-indole-2-carboxamide
CID 100687794
(E)-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-3-phenylprop-2-enamide
CID 100687563
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816673
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 100688916
N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 129416791
N-[(2S)-2-(furan-3-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2,5-dimethylbenzamide
CID 124892781
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 91816672
2-cyclopentylsulfanyl-N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]acetamide
CID 91816644
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2,5-dimethylbenzamide
CID 121018387

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide (CID 100687429) is N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC[C@](O)(c1ccco1)c1cccs1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide?
The InChIKey is NQBYAOJKGGLRDT-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-13-6-2-3-7-14(13)17(20)19-12-18(21,15-8-4-10-22-15)16-9-5-11-23-16/h2-11,21H,12H2,1H3,(H,19,20)/t18-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide?
N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-2-ylethyl]-2-methylbenzamide is sourced from PubChem (CID 100687429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).