[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

C15H13Cl2NO5S2 — CID 41035928

IUPAC[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H13Cl2NO5S2/c16-10-2-1-3-11(8-10)25(21,22)18-7-6-15(20)23-9-12(19)13-4-5-14(17)24-13/h1-5,8,18H,6-7,9H2
InChIKeyFOYWRVRWUYSYAO-UHFFFAOYSA-N
MW422.31 g/mol
LogP3.15
Rot. Bonds8

About [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (PubChem CID 41035928) has the molecular formula C15H13Cl2NO5S2 and a molecular weight of 422.31 g/mol. Its IUPAC name is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
PubChem CID41035928
Molecular FormulaC15H13Cl2NO5S2
Molecular Weight422.31 g/mol
Exact Mass420.96
IUPAC Name[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H13Cl2NO5S2/c16-10-2-1-3-11(8-10)25(21,22)18-7-6-15(20)23-9-12(19)13-4-5-14(17)24-13/h1-5,8,18H,6-7,9H2
InChIKeyFOYWRVRWUYSYAO-UHFFFAOYSA-N
XLogP3.15
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate
CID 2404708
[2-(1H-indol-3-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035639
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42980604
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate
CID 4842022
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate
CID 8506160
methyl 1-[2-[3-[(3-chlorophenyl)sulfonylamino]propanoyloxy]acetyl]piperidine-4-carboxylate
CID 42982150
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035867
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate
CID 7238039
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 41035913
[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 55468603

Frequently Asked Questions

What is the IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate (CID 41035928) is [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)OCC(=O)c1ccc(Cl)s1.
What is the InChIKey of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
The InChIKey is FOYWRVRWUYSYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S2/c16-10-2-1-3-11(8-10)25(21,22)18-7-6-15(20)23-9-12(19)13-4-5-14(17)24-13/h1-5,8,18H,6-7,9H2.
What are the key properties of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate?
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate has a molecular weight of 422.31 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-[(3-chlorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 41035928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).