2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone

C14H21Cl2NOS — CID 63566808

IUPAC2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESCC(C)CN(CC(=O)c1cc(Cl)sc1Cl)CC(C)C
InChIInChI=1S/C14H21Cl2NOS/c1-9(2)6-17(7-10(3)4)8-12(18)11-5-13(15)19-14(11)16/h5,9-10H,6-8H2,1-4H3
InChIKeyUXSZODJAFIXIKV-UHFFFAOYSA-N
MW322.30 g/mol
LogP4.85
Rot. Bonds7

About 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone

2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone (PubChem CID 63566808) has the molecular formula C14H21Cl2NOS and a molecular weight of 322.30 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
PubChem CID63566808
Molecular FormulaC14H21Cl2NOS
Molecular Weight322.30 g/mol
Exact Mass321.07
IUPAC Name2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
SMILESCC(C)CN(CC(=O)c1cc(Cl)sc1Cl)CC(C)C
InChIInChI=1S/C14H21Cl2NOS/c1-9(2)6-17(7-10(3)4)8-12(18)11-5-13(15)19-14(11)16/h5,9-10H,6-8H2,1-4H3
InChIKeyUXSZODJAFIXIKV-UHFFFAOYSA-N
XLogP4.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone?
The IUPAC name of 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone (CID 63566808) is 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone.
What is the SMILES notation for 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone?
The canonical SMILES for 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone is CC(C)CN(CC(=O)c1cc(Cl)sc1Cl)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone?
The InChIKey is UXSZODJAFIXIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NOS/c1-9(2)6-17(7-10(3)4)8-12(18)11-5-13(15)19-14(11)16/h5,9-10H,6-8H2,1-4H3.
What are the key properties of 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone?
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone has a molecular weight of 322.30 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone is sourced from PubChem (CID 63566808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).