2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C12H16Cl2N2O2S — CID 35820203

IUPAC2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-7(2)15-11(18)6-16(3)5-9(17)8-4-10(13)19-12(8)14/h4,7H,5-6H2,1-3H3,(H,15,18)
InChIKeyBTSBQCDCYXVGOZ-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.69
Rot. Bonds6

About 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 35820203) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID35820203
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c1-7(2)15-11(18)6-16(3)5-9(17)8-4-10(13)19-12(8)14/h4,7H,5-6H2,1-3H3,(H,15,18)
InChIKeyBTSBQCDCYXVGOZ-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]acetamide
CID 62053334
2-[[2-(4-chlorophenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 62035213
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[bis(2-methylpropyl)amino]-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 63566808
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62050817
1-(2,5-dichlorothiophen-3-yl)-2-[methyl(2-methylbutan-2-yl)amino]ethanone
CID 63966848
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-[(2,5-dichlorothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 103628563
2-[[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913312
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 35820203) is 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is BTSBQCDCYXVGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-7(2)15-11(18)6-16(3)5-9(17)8-4-10(13)19-12(8)14/h4,7H,5-6H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 323.25 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 35820203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).