1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

C17H21NOS — CID 62051366

IUPAC1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2ccc(C)cc2)s1
InChIInChI=1S/C17H21NOS/c1-4-15-9-10-17(20-15)16(19)12-18(3)11-14-7-5-13(2)6-8-14/h5-10H,4,11-12H2,1-3H3
InChIKeyIVYIFGDYOAUNIC-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.93
Rot. Bonds6

About 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone

1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (PubChem CID 62051366) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
PubChem CID62051366
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)Cc2ccc(C)cc2)s1
InChIInChI=1S/C17H21NOS/c1-4-15-9-10-17(20-15)16(19)12-18(3)11-14-7-5-13(2)6-8-14/h5-10H,4,11-12H2,1-3H3
InChIKeyIVYIFGDYOAUNIC-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 55225801
1-(5-ethylthiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]ethanone
CID 79485722
2-[(2-bromophenyl)methyl-methylamino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62036144
2-[cyclobutylmethyl(methyl)amino]-1-(5-ethylthiophen-2-yl)ethanone
CID 62860809
1-(5-ethylthiophen-2-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950449
1-(5-ethylthiophen-2-yl)-2-[methyl(2-pyridin-2-ylethyl)amino]ethanone
CID 43228072
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999645
2-(3,4-dimethylphenyl)-1-(5-ethylthiophen-2-yl)ethanone
CID 55196964
1-(5-chlorothiophen-2-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 62051633
1-(3-bromophenyl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone
CID 62051949
1-(5-ethylthiophen-2-yl)-2-(4-iodophenyl)ethanone
CID 114974142
1-(5-ethylthiophen-2-yl)-3-(4-methylphenyl)propan-2-one
CID 62622317

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone (CID 62051366) is 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is CCc1ccc(C(=O)CN(C)Cc2ccc(C)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
The InChIKey is IVYIFGDYOAUNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-4-15-9-10-17(20-15)16(19)12-18(3)11-14-7-5-13(2)6-8-14/h5-10H,4,11-12H2,1-3H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone has a molecular weight of 287.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]ethanone is sourced from PubChem (CID 62051366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).