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

C10H12ClNO4S2 — CID 114232220

IUPAC2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO4S2/c1-6(18(15,16)5-9(13)12-2)10(14)7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyZTQOTMCLSKNKBB-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.13
Rot. Bonds5

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

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide (PubChem CID 114232220) has the molecular formula C10H12ClNO4S2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
PubChem CID114232220
Molecular FormulaC10H12ClNO4S2
Molecular Weight309.80 g/mol
Exact Mass308.99
IUPAC Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C(C)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO4S2/c1-6(18(15,16)5-9(13)12-2)10(14)7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyZTQOTMCLSKNKBB-UHFFFAOYSA-N
XLogP1.13
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
CID 114233117
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]-N-methylpropanamide
CID 106916452
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-ethylamino]-N-methylacetamide
CID 62051078
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]amino]propanoic acid
CID 112513571
3-(5-chlorothiophen-2-yl)-N,4-dimethylpentanamide
CID 82085991
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
2-[butan-2-yl(ethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 43795957
1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
2-amino-3-(5-chlorothiophen-2-yl)-3-oxopropanoic acid
CID 116920482

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide (CID 114232220) is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C(C)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide?
The InChIKey is ZTQOTMCLSKNKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO4S2/c1-6(18(15,16)5-9(13)12-2)10(14)7-3-4-8(11)17-7/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide?
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide has a molecular weight of 309.80 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 114232220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).