1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone

C15H17NOS — CID 62051999

IUPAC1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-3-5-14(6-4-12)15(17)10-16(2)9-13-7-8-18-11-13/h3-8,11H,9-10H2,1-2H3
InChIKeyVMTUROQSNUSRBL-UHFFFAOYSA-N
MW259.37 g/mol
LogP3.37
Rot. Bonds5

About 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone

1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (PubChem CID 62051999) has the molecular formula C15H17NOS and a molecular weight of 259.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
PubChem CID62051999
Molecular FormulaC15H17NOS
Molecular Weight259.37 g/mol
Exact Mass259.10
IUPAC Name1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
SMILESCc1ccc(C(=O)CN(C)Cc2ccsc2)cc1
InChIInChI=1S/C15H17NOS/c1-12-3-5-14(6-4-12)15(17)10-16(2)9-13-7-8-18-11-13/h3-8,11H,9-10H2,1-2H3
InChIKeyVMTUROQSNUSRBL-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[methyl(thiophen-3-ylmethyl)amino]acetyl]benzonitrile
CID 62051809
1-(3-bromo-4-methoxyphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62051214
2-[(4-bromothiophen-2-yl)methyl-methylamino]-1-(4-methylphenyl)ethanone
CID 62052681
2-[benzyl(methyl)amino]-1-thiophen-3-ylethanone
CID 10658035
1-(2-chlorophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62053567
1-(4-methylphenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 60650537
1-(2-bromophenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone
CID 62052197
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
N-(2-bromo-4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 9054511
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
N-[(2-methylphenyl)methyl]-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 8925841
2-[methyl(thiophen-3-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 55025197

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone (CID 62051999) is 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is Cc1ccc(C(=O)CN(C)Cc2ccsc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
The InChIKey is VMTUROQSNUSRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NOS/c1-12-3-5-14(6-4-12)15(17)10-16(2)9-13-7-8-18-11-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone?
1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone has a molecular weight of 259.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[methyl(thiophen-3-ylmethyl)amino]ethanone is sourced from PubChem (CID 62051999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).