3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide

C15H18N2O2S — CID 65241851

IUPAC3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(C)c(C)s2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-9-6-12(20-10(9)2)8-17-15(18)11-4-5-14(19-3)13(16)7-11/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyYLMFQCOGIJDZNS-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.89
Rot. Bonds4

About 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide

3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide (PubChem CID 65241851) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
PubChem CID65241851
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2cc(C)c(C)s2)cc1N
InChIInChI=1S/C15H18N2O2S/c1-9-6-12(20-10(9)2)8-17-15(18)11-4-5-14(19-3)13(16)7-11/h4-7H,8,16H2,1-3H3,(H,17,18)
InChIKeyYLMFQCOGIJDZNS-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.89
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-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-amino-N-[(5-bromothiophen-2-yl)methyl]-4-methoxybenzamide
CID 61140170
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-3-hydroxybenzamide
CID 107075489
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-hydrazinylbenzamide
CID 65245855
3-amino-4-methoxy-N-(2-methoxyethyl)benzamide
CID 16772972
N-[(3-amino-4-methoxyphenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60971358
3-amino-4-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63830367
3-bromo-4-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 107999567
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
4-cyano-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 65243956
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 107210223
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide (CID 65241851) is 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2cc(C)c(C)s2)cc1N.
What is the InChIKey of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is YLMFQCOGIJDZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9-6-12(20-10(9)2)8-17-15(18)11-4-5-14(19-3)13(16)7-11/h4-7H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide?
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 290.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 65241851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).