2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide

C22H19ClN2O3S — CID 1288047

IUPAC2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-28-17-10-8-16(9-11-17)24-22(27)19-4-2-3-5-20(19)25-21(26)14-29-18-12-6-15(23)7-13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXYHKGPIVBRCZEV-UHFFFAOYSA-N
MW426.93 g/mol
LogP5.33
Rot. Bonds7

About 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide

2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide (PubChem CID 1288047) has the molecular formula C22H19ClN2O3S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide
PubChem CID1288047
Molecular FormulaC22H19ClN2O3S
Molecular Weight426.93 g/mol
Exact Mass426.08
IUPAC Name2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O3S/c1-28-17-10-8-16(9-11-17)24-22(27)19-4-2-3-5-20(19)25-21(26)14-29-18-12-6-15(23)7-13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyXYHKGPIVBRCZEV-UHFFFAOYSA-N
XLogP5.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.93
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide (CID 1288047) is 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is XYHKGPIVBRCZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O3S/c1-28-17-10-8-16(9-11-17)24-22(27)19-4-2-3-5-20(19)25-21(26)14-29-18-12-6-15(23)7-13-18/h2-13H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide?
2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 426.93 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 1288047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).