1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

Name: 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₇Cl₂NOS — CID 63966848

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

SMILESCCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl

InChIInChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3

InChIKeyWDRKRJDIKRJMOH-UHFFFAOYSA-N

MW294.25 g/mol

LogP4.36

Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone

1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (PubChem CID 63966848) has the molecular formula C₁₂H₁₇Cl₂NOS and a molecular weight of 294.25 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.

Molecular Properties

Compound Name	1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
PubChem CID	63966848
Molecular Formula	C₁₂H₁₇Cl₂NOS
Molecular Weight	294.25 g/mol
Exact Mass	293.04
IUPAC Name	1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
SMILES	CCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl
InChI	InChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3
InChIKey	WDRKRJDIKRJMOH-UHFFFAOYSA-N
XLogP	4.36
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.25
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?

The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone (CID 63966848) is 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone.

What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?

The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is CCC(C)(C)N(C)CC(=O)c1cc(Cl)sc1Cl.

What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?

The InChIKey is WDRKRJDIKRJMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NOS/c1-5-12(2,3)15(4)7-9(16)8-6-10(13)17-11(8)14/h6H,5,7H2,1-4H3.

What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone?

1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone has a molecular weight of 294.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone is sourced from PubChem (CID 63966848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 63966848 — identifiers, structure, computed properties (public domain)

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