2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide

C10H13ClN2O2S — CID 62051390

IUPAC2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC(C(=O)c1ccc(Cl)s1)N(C)CC(N)=O
InChIInChI=1S/C10H13ClN2O2S/c1-6(13(2)5-9(12)14)10(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H2,12,14)
InChIKeyGOXJWTMVYBUZAR-UHFFFAOYSA-N
MW260.75 g/mol
LogP1.39
Rot. Bonds5

About 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide

2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide (PubChem CID 62051390) has the molecular formula C10H13ClN2O2S and a molecular weight of 260.75 g/mol. Its IUPAC name is 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
PubChem CID62051390
Molecular FormulaC10H13ClN2O2S
Molecular Weight260.75 g/mol
Exact Mass260.04
IUPAC Name2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
SMILESCC(C(=O)c1ccc(Cl)s1)N(C)CC(N)=O
InChIInChI=1S/C10H13ClN2O2S/c1-6(13(2)5-9(12)14)10(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H2,12,14)
InChIKeyGOXJWTMVYBUZAR-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.75
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-[methyl-[(4-methylphenyl)methyl]amino]propan-1-one
CID 62050574
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-methylamino]acetamide
CID 62050605
2-[[1-(4-chlorophenyl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62052939
1-(5-chlorothiophen-2-yl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-1-one
CID 62051006
1-(5-chlorothiophen-2-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43228210
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
3-[[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]methyl]benzonitrile
CID 62981876

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The IUPAC name of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide (CID 62051390) is 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide.
What is the SMILES notation for 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The canonical SMILES for 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide is CC(C(=O)c1ccc(Cl)s1)N(C)CC(N)=O.
What is the InChIKey of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
The InChIKey is GOXJWTMVYBUZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2S/c1-6(13(2)5-9(12)14)10(15)7-3-4-8(11)16-7/h3-4,6H,5H2,1-2H3,(H2,12,14).
What are the key properties of 2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide?
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide has a molecular weight of 260.75 g/mol, XLogP of 1.39, 5 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]-methylamino]acetamide is sourced from PubChem (CID 62051390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).