2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

C14H16N2O2S — CID 81420408

IUPAC2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCc1sccc1C
InChIInChI=1S/C14H16N2O2S/c1-9-6-7-19-12(9)8-16-14(17)13-10(15)4-3-5-11(13)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyQVUKFADZIMAEBH-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.58
Rot. Bonds4

About 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (PubChem CID 81420408) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
PubChem CID81420408
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
SMILESCOc1cccc(N)c1C(=O)NCc1sccc1C
InChIInChI=1S/C14H16N2O2S/c1-9-6-7-19-12(9)8-16-14(17)13-10(15)4-3-5-11(13)18-2/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyQVUKFADZIMAEBH-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
CID 81420545
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
3-(2-methoxyphenoxy)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 134056529
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
CID 79209843
2-amino-6-methoxy-N-[2-(2-methylphenyl)ethyl]benzamide
CID 81395621
1-[2-(2-methoxyphenyl)ethyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 33421421
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
2-amino-6-methoxy-N-(3-methylbut-2-enyl)benzamide
CID 114154654
2-amino-6-ethoxy-N-methyl-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81396491
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269
2-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrrole-2,5-dicarboxamide
CID 166317088

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The IUPAC name of 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide (CID 81420408) is 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is COc1cccc(N)c1C(=O)NCc1sccc1C.
What is the InChIKey of 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
The InChIKey is QVUKFADZIMAEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-6-7-19-12(9)8-16-14(17)13-10(15)4-3-5-11(13)18-2/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide?
2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide has a molecular weight of 276.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 81420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).