methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate

C15H14Cl2N2O5S2 — CID 38238252

IUPACmethyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O5S2/c1-19(26(22,23)14-6-5-12(17)25-14)8-13(20)18-9-3-4-11(16)10(7-9)15(21)24-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyZQPSMOXEHIKSDL-UHFFFAOYSA-N
MW437.33 g/mol
LogP3.10
Rot. Bonds6

About methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate

methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate (PubChem CID 38238252) has the molecular formula C15H14Cl2N2O5S2 and a molecular weight of 437.33 g/mol. Its IUPAC name is methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
PubChem CID38238252
Molecular FormulaC15H14Cl2N2O5S2
Molecular Weight437.33 g/mol
Exact Mass435.97
IUPAC Namemethyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)ccc1Cl
InChIInChI=1S/C15H14Cl2N2O5S2/c1-19(26(22,23)14-6-5-12(17)25-14)8-13(20)18-9-3-4-11(16)10(7-9)15(21)24-2/h3-7H,8H2,1-2H3,(H,18,20)
InChIKeyZQPSMOXEHIKSDL-UHFFFAOYSA-N
XLogP3.10
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(3-chlorophenyl)-2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetamide
CID 9412118
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 78776431
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-methylphenyl)acetamide
CID 9341591
N-[3-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46584820
methyl 3-[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]oxynaphthalene-2-carboxylate
CID 31527570
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 38253630
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(2,6-difluorophenyl)acetamide
CID 51158900
methyl 2-chloro-5-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 126318297
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[4-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 55812298
(2-chloro-5-methylphenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 26199574
(2,4-dichlorophenyl) 2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetate
CID 18287790
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 30160286

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate (CID 38238252) is methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)ccc1Cl.
What is the InChIKey of methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate?
The InChIKey is ZQPSMOXEHIKSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O5S2/c1-19(26(22,23)14-6-5-12(17)25-14)8-13(20)18-9-3-4-11(16)10(7-9)15(21)24-2/h3-7H,8H2,1-2H3,(H,18,20).
What are the key properties of methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate?
methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate has a molecular weight of 437.33 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-[[2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 38238252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).