3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C14H15NO3S — CID 79673638

IUPAC3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccsc2)cc1O
InChIInChI=1S/C14H15NO3S/c1-15(8-10-5-6-19-9-10)14(17)11-3-4-13(18-2)12(16)7-11/h3-7,9,16H,8H2,1-2H3
InChIKeyORIOFWDXWGNDCB-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.73
Rot. Bonds4

About 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 79673638) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID79673638
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)Cc2ccsc2)cc1O
InChIInChI=1S/C14H15NO3S/c1-15(8-10-5-6-19-9-10)14(17)11-3-4-13(18-2)12(16)7-11/h3-7,9,16H,8H2,1-2H3
InChIKeyORIOFWDXWGNDCB-UHFFFAOYSA-N
XLogP2.73
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methoxy-N-methylbenzamide
CID 79593528
3-chloro-4,5-dimethoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 18110375
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 9200491
2,6-dichloro-N-methyl-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 43396649
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
3-hydroxy-4-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79600380
3-hydroxy-4-methoxy-N-(3-methoxypropyl)-N-methylbenzamide
CID 79601084
N-cyclopropyl-3-fluoro-4-methoxy-N-(thiophen-3-ylmethyl)benzamide
CID 72717904
N-methyl-4-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 27889649
4-amino-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60963073

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 79673638) is 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is COc1ccc(C(=O)N(C)Cc2ccsc2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is ORIOFWDXWGNDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-15(8-10-5-6-19-9-10)14(17)11-3-4-13(18-2)12(16)7-11/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 277.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 79673638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).