methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate

C24H23ClN2O5S — CID 21371915

IUPACmethyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-16-9-12-22(17(2)13-16)27(33(30,31)19-7-5-4-6-8-19)15-23(28)26-18-10-11-21(25)20(14-18)24(29)32-3/h4-14H,15H2,1-3H3,(H,26,28)
InChIKeyDJUOLPNLPZWPAX-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.58
Rot. Bonds7

About methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate

methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate (PubChem CID 21371915) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
PubChem CID21371915
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Namemethyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C24H23ClN2O5S/c1-16-9-12-22(17(2)13-16)27(33(30,31)19-7-5-4-6-8-19)15-23(28)26-18-10-11-21(25)20(14-18)24(29)32-3/h4-14H,15H2,1-3H3,(H,26,28)
InChIKeyDJUOLPNLPZWPAX-UHFFFAOYSA-N
XLogP4.58
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate with MolForge

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Related Compounds

methyl 5-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 126269807
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(3-chloro-4-methylphenyl)acetamide
CID 4546563
methyl 5-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]amino]-2-chlorobenzoate
CID 2206174
ethyl 2-chloro-5-[[2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)acetyl]amino]benzoate
CID 28575790
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-(4-iodophenyl)acetamide
CID 1361630
methyl 2-chloro-5-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]amino]benzoate
CID 92663899
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-methoxyphenyl)acetamide
CID 1361538
ethyl 5-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 30305179
methyl 2-chloro-5-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 126413122
methyl 2-chloro-5-[[2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 21372677
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
ethyl 5-[[2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]acetyl]amino]-2-chlorobenzoate
CID 43902060

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate?
The IUPAC name of methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate (CID 21371915) is methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate is COC(=O)c1cc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate?
The InChIKey is DJUOLPNLPZWPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-16-9-12-22(17(2)13-16)27(33(30,31)19-7-5-4-6-8-19)15-23(28)26-18-10-11-21(25)20(14-18)24(29)32-3/h4-14H,15H2,1-3H3,(H,26,28).
What are the key properties of methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate?
methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate has a molecular weight of 486.98 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[N-(benzenesulfonyl)-2,4-dimethylanilino]acetyl]amino]-2-chlorobenzoate is sourced from PubChem (CID 21371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).