3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide

C15H18N2O2S — CID 81092223

IUPAC3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
SMILESCCc1ccsc1CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H18N2O2S/c1-3-10-4-5-20-14(10)9-17-15(18)11-6-12(16)8-13(7-11)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyPWCLYGMIGLUOLP-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.83
Rot. Bonds5

About 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide

3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide (PubChem CID 81092223) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
PubChem CID81092223
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
SMILESCCc1ccsc1CNC(=O)c1cc(N)cc(OC)c1
InChIInChI=1S/C15H18N2O2S/c1-3-10-4-5-20-14(10)9-17-15(18)11-6-12(16)8-13(7-11)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18)
InChIKeyPWCLYGMIGLUOLP-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

3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
2-amino-N-[(3-ethylthiophen-2-yl)methyl]-6-methoxybenzamide
CID 81420545
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
4-(bromomethyl)-N-[(3-ethylthiophen-2-yl)methyl]benzamide
CID 102851859
3-amino-5-methoxy-N-(thiolan-2-ylmethyl)benzamide
CID 81091777
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
3-amino-5-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 78985037
3-amino-N-(2-cyclopropylethyl)-5-methoxybenzamide
CID 81092217
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-methoxybenzamide
CID 115453958
propan-2-yl N-[(3-ethylthiophen-2-yl)methyl]carbamate
CID 116656798

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide?
The IUPAC name of 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide (CID 81092223) is 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide is CCc1ccsc1CNC(=O)c1cc(N)cc(OC)c1.
What is the InChIKey of 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide?
The InChIKey is PWCLYGMIGLUOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-3-10-4-5-20-14(10)9-17-15(18)11-6-12(16)8-13(7-11)19-2/h4-8H,3,9,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide?
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-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 3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 81092223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).