N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide

C15H17NO3S — CID 90499769

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C15H17NO3S/c1-15(18,13-7-4-8-20-13)10-16-14(17)11-5-3-6-12(9-11)19-2/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyUWPXWMSXJXSOGC-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.39
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide (PubChem CID 90499769) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
PubChem CID90499769
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCC(C)(O)c2cccs2)c1
InChIInChI=1S/C15H17NO3S/c1-15(18,13-7-4-8-20-13)10-16-14(17)11-5-3-6-12(9-11)19-2/h3-9,18H,10H2,1-2H3,(H,16,17)
InChIKeyUWPXWMSXJXSOGC-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983254
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3,4,5-trimethoxybenzamide
CID 90499845
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-nitrobenzamide
CID 90499784
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]thiophene-3-carboxamide
CID 95983240
N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-1,3-benzothiazole-6-carboxamide
CID 99816829
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-3-methoxybenzamide
CID 90522960
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methoxybenzamide
CID 103840032
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methyl-4-nitrobenzamide
CID 90499802
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide (CID 90499769) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide is COc1cccc(C(=O)NCC(C)(O)c2cccs2)c1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide?
The InChIKey is UWPXWMSXJXSOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-15(18,13-7-4-8-20-13)10-16-14(17)11-5-3-6-12(9-11)19-2/h3-9,18H,10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide has a molecular weight of 291.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-3-methoxybenzamide is sourced from PubChem (CID 90499769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).