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

C15H25NOS — CID 54999645

IUPAC1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C(C)CC(C)C)s1
InChIInChI=1S/C15H25NOS/c1-6-13-7-8-15(18-13)14(17)10-16(5)12(4)9-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyLGBFONZKVPFQBI-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.86
Rot. Bonds7

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

1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone (PubChem CID 54999645) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
PubChem CID54999645
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
SMILESCCc1ccc(C(=O)CN(C)C(C)CC(C)C)s1
InChIInChI=1S/C15H25NOS/c1-6-13-7-8-15(18-13)14(17)10-16(5)12(4)9-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyLGBFONZKVPFQBI-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone (CID 54999645) is 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone is CCc1ccc(C(=O)CN(C)C(C)CC(C)C)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
The InChIKey is LGBFONZKVPFQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-6-13-7-8-15(18-13)14(17)10-16(5)12(4)9-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone?
1-(5-ethylthiophen-2-yl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone has a molecular weight of 267.44 g/mol, XLogP of 3.86, 7 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-methylpentan-2-yl)amino]ethanone is sourced from PubChem (CID 54999645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).