2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide

C12H17ClN2O2S — CID 62051078

IUPAC2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-4-15(7-11(16)14-3)8(2)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyGBGZVLMTRNSMRW-UHFFFAOYSA-N
MW288.80 g/mol
LogP2.04
Rot. Bonds6

About 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide

2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide (PubChem CID 62051078) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
PubChem CID62051078
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC Name2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2O2S/c1-4-15(7-11(16)14-3)8(2)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16)
InChIKeyGBGZVLMTRNSMRW-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
1-(5-chlorothiophen-2-yl)-2-[ethyl(thiophen-2-ylmethyl)amino]propan-1-one
CID 62036547
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
CID 114232220
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-2-(N-ethyl-2-methylanilino)propan-1-one
CID 43794159
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 62031823
1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
CID 62051006
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]amino]propanoic acid
CID 112513571

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide (CID 62051078) is 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide?
The InChIKey is GBGZVLMTRNSMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-4-15(7-11(16)14-3)8(2)12(17)9-5-6-10(13)18-9/h5-6,8H,4,7H2,1-3H3,(H,14,16).
What are the key properties of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide?
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide has a molecular weight of 288.80 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide is sourced from PubChem (CID 62051078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).