2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide

C15H18N2O2S — CID 81420545

IUPAC2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
SMILESCCc1ccsc1CNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C15H18N2O2S/c1-3-10-7-8-20-13(10)9-17-15(18)14-11(16)5-4-6-12(14)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyYILKQGMCOOKNCR-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds5

About 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide

2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide (PubChem CID 81420545) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
PubChem CID81420545
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
SMILESCCc1ccsc1CNC(=O)c1c(N)cccc1OC
InChIInChI=1S/C15H18N2O2S/c1-3-10-7-8-20-13(10)9-17-15(18)14-11(16)5-4-6-12(14)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyYILKQGMCOOKNCR-UHFFFAOYSA-N
XLogP2.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.83
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-6-methoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 81420408
2-amino-6-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 81421054
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
N-[(3-bromothiophen-2-yl)methyl]-2-fluoro-6-methoxybenzamide
CID 79209843
2-amino-6-chloro-N-[(2-methoxyphenyl)methyl]benzamide
CID 63660526
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
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-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
N-[(3-ethylthiophen-2-yl)methyl]-3-sulfanylbenzamide
CID 107032569
2-amino-N-(2,3-dihydroxypropyl)-6-methoxybenzamide
CID 81420269

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide?
The IUPAC name of 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide (CID 81420545) is 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide.
What is the SMILES notation for 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide?
The canonical SMILES for 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide is CCc1ccsc1CNC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide?
The InChIKey is YILKQGMCOOKNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-10-7-8-20-13(10)9-17-15(18)14-11(16)5-4-6-12(14)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide?
2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide has a molecular weight of 290.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide is sourced from PubChem (CID 81420545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).