methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate

C16H14ClNO3S — CID 2554185

IUPACmethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H14ClNO3S/c1-21-16(20)11-6-2-4-8-13(11)18-15(19)10-22-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBGWJDNZNGUDLEL-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.86
Rot. Bonds5

About methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate

methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate (PubChem CID 2554185) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
PubChem CID2554185
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Namemethyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CSc1ccccc1Cl
InChIInChI=1S/C16H14ClNO3S/c1-21-16(20)11-6-2-4-8-13(11)18-15(19)10-22-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,19)
InChIKeyBGWJDNZNGUDLEL-UHFFFAOYSA-N
XLogP3.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
methyl 2-[[4-(2-chlorophenyl)-4-oxobutanoyl]amino]benzoate
CID 110424083
methyl 2-[[3-(2,6-dichloroanilino)-3-oxopropanoyl]amino]benzoate
CID 108956315
methyl 2-[[2-[[5-[1-[(2-chlorobenzoyl)amino]ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 3404629
methyl 2-[[2-[[5-(2-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
CID 4989032
2-(2-chlorophenyl)sulfanyl-N-(2-cyanophenyl)acetamide
CID 2390775
methyl 2-[3-(2-chloroanilino)propanoylamino]benzoate
CID 109037899
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
methyl 2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoate
CID 875754
2-(2-chlorophenyl)sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 35358026

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate (CID 2554185) is methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CSc1ccccc1Cl.
What is the InChIKey of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate?
The InChIKey is BGWJDNZNGUDLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-21-16(20)11-6-2-4-8-13(11)18-15(19)10-22-14-9-5-3-7-12(14)17/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate?
methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate has a molecular weight of 335.81 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-chlorophenyl)sulfanylacetyl]amino]benzoate is sourced from PubChem (CID 2554185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).