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

C11H14ClNO4S2 — CID 114233117

IUPAC2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
SMILESCC(C(=O)c1ccc(Cl)s1)S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C11H14ClNO4S2/c1-7(11(15)8-4-5-9(12)18-8)19(16,17)6-10(14)13(2)3/h4-5,7H,6H2,1-3H3
InChIKeyLCTGVNGHUHJRKX-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.48
Rot. Bonds5

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

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide (PubChem CID 114233117) has the molecular formula C11H14ClNO4S2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
PubChem CID114233117
Molecular FormulaC11H14ClNO4S2
Molecular Weight323.82 g/mol
Exact Mass323.01
IUPAC Name2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide
SMILESCC(C(=O)c1ccc(Cl)s1)S(=O)(=O)CC(=O)N(C)C
InChIInChI=1S/C11H14ClNO4S2/c1-7(11(15)8-4-5-9(12)18-8)19(16,17)6-10(14)13(2)3/h4-5,7H,6H2,1-3H3
InChIKeyLCTGVNGHUHJRKX-UHFFFAOYSA-N
XLogP1.48
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N-methylacetamide
CID 114232220
2-butan-2-ylsulfonyl-1-(5-chlorothiophen-2-yl)propan-1-one
CID 64644115
1-(5-chlorothiophen-2-yl)-2-[methyl(pentan-3-yl)amino]propan-1-one
CID 43796847
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
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
1-(5-chlorothiophen-2-yl)-3-(diethylamino)-2-methylpropan-1-one
CID 112510682
5-chloro-N-[2-(dimethylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 9480604
2-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 62051390
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
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,N-dimethylacetamide?
The IUPAC name of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide (CID 114233117) is 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide?
The canonical SMILES for 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide is CC(C(=O)c1ccc(Cl)s1)S(=O)(=O)CC(=O)N(C)C.
What is the InChIKey of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide?
The InChIKey is LCTGVNGHUHJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4S2/c1-7(11(15)8-4-5-9(12)18-8)19(16,17)6-10(14)13(2)3/h4-5,7H,6H2,1-3H3.
What are the key properties of 2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide?
2-[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]sulfonyl-N,N-dimethylacetamide has a molecular weight of 323.82 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 114233117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).