3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

C13H14N2O2S — CID 113386383

IUPAC3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(N)c1O
InChIInChI=1S/C13H14N2O2S/c1-15(7-9-5-6-18-8-9)13(17)10-3-2-4-11(14)12(10)16/h2-6,8,16H,7,14H2,1H3
InChIKeyWDTMVOSJUXFYNF-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.31
Rot. Bonds3

About 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide

3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 113386383) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
PubChem CID113386383
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
SMILESCN(Cc1ccsc1)C(=O)c1cccc(N)c1O
InChIInChI=1S/C13H14N2O2S/c1-15(7-9-5-6-18-8-9)13(17)10-3-2-4-11(14)12(10)16/h2-6,8,16H,7,14H2,1H3
InChIKeyWDTMVOSJUXFYNF-UHFFFAOYSA-N
XLogP2.31
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62167817
2-fluoro-N-methyl-N-(thiophen-3-ylmethyl)-3-(trifluoromethyl)benzamide
CID 79883708
2-hydroxy-4-methoxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 30604031
2-(2-amino-2-oxoethyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 38710126
N,2-dimethyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 18117285
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbenzamide
CID 61115143
2-hydrazinyl-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 115937127
3-amino-2-hydroxy-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 106913813
2-(2-aminophenyl)sulfanyl-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249154
4-amino-3-fluoro-N-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 62678324
6-amino-N-methyl-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 62155302

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide (CID 113386383) is 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is CN(Cc1ccsc1)C(=O)c1cccc(N)c1O.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is WDTMVOSJUXFYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-15(7-9-5-6-18-8-9)13(17)10-3-2-4-11(14)12(10)16/h2-6,8,16H,7,14H2,1H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide?
3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 262.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 113386383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).