2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

C16H17NO2S — CID 62844409

IUPAC2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCc3sccc32)c(O)c1
InChIInChI=1S/C16H17NO2S/c1-10-5-6-12(14(18)9-10)16(19)17-13-3-2-4-15-11(13)7-8-20-15/h5-9,13,18H,2-4H2,1H3,(H,17,19)
InChIKeyHXYBIXPMGMCQTH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.57
Rot. Bonds2

About 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide

2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (PubChem CID 62844409) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
PubChem CID62844409
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
SMILESCc1ccc(C(=O)NC2CCCc3sccc32)c(O)c1
InChIInChI=1S/C16H17NO2S/c1-10-5-6-12(14(18)9-10)16(19)17-13-3-2-4-15-11(13)7-8-20-15/h5-9,13,18H,2-4H2,1H3,(H,17,19)
InChIKeyHXYBIXPMGMCQTH-UHFFFAOYSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
6-methyl-4-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1H-pyridine-3-carboxamide
CID 104856721
2-hydroxy-3-methoxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844241
3-bromo-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 81472327
5-amino-2-fluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62840249
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
2-(ethylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62843224
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-4-methylbenzamide
CID 79723797
2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-3-carboxamide
CID 62844798
5-chloro-2-(methylamino)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyridine-4-carboxamide
CID 114923356
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide (CID 62844409) is 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is Cc1ccc(C(=O)NC2CCCc3sccc32)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
The InChIKey is HXYBIXPMGMCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c1-10-5-6-12(14(18)9-10)16(19)17-13-3-2-4-15-11(13)7-8-20-15/h5-9,13,18H,2-4H2,1H3,(H,17,19).
What are the key properties of 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide?
2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide has a molecular weight of 287.38 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide is sourced from PubChem (CID 62844409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).