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

C18H17NO3S2 — CID 122244235

IUPACN-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H17NO3S2/c1-23-17-5-3-2-4-13(17)18(21)19-10-14(20)16-7-6-15(22-16)12-8-9-24-11-12/h2-9,11,14,20H,10H2,1H3,(H,19,21)
InChIKeyWUPXIXDKKRLPIB-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.19
Rot. Bonds6

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

N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide (PubChem CID 122244235) has the molecular formula C18H17NO3S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
PubChem CID122244235
Molecular FormulaC18H17NO3S2
Molecular Weight359.47 g/mol
Exact Mass359.06
IUPAC NameN-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)o1
InChIInChI=1S/C18H17NO3S2/c1-23-17-5-3-2-4-13(17)18(21)19-10-14(20)16-7-6-15(22-16)12-8-9-24-11-12/h2-9,11,14,20H,10H2,1H3,(H,19,21)
InChIKeyWUPXIXDKKRLPIB-UHFFFAOYSA-N
XLogP4.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylbenzamide
CID 129356603
2,6-difluoro-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 122244233
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]benzamide
CID 129355868
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 129356549
2-(2-chloro-6-fluorophenyl)-N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]acetamide
CID 129357403
N-[(2S)-2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-N'-(2-methoxyphenyl)oxamide
CID 129357446
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-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-methylsulfanylbenzamide
CID 95982653
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
N'-(3-chloro-2-methylphenyl)-N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]oxamide
CID 119102007
N-[2-hydroxy-2-(4-thiophen-3-ylphenyl)ethyl]-2-methylbenzamide
CID 122244278

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide (CID 122244235) is N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCC(O)c1ccc(-c2ccsc2)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide?
The InChIKey is WUPXIXDKKRLPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S2/c1-23-17-5-3-2-4-13(17)18(21)19-10-14(20)16-7-6-15(22-16)12-8-9-24-11-12/h2-9,11,14,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide?
N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-thiophen-3-ylfuran-2-yl)ethyl]-2-methylsulfanylbenzamide is sourced from PubChem (CID 122244235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).