methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate

C24H23ClN2O5S — CID 126271518

IUPACmethyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate
SMILESCCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23ClN2O5S/c1-3-17-9-12-19(13-10-17)27(33(30,31)20-7-5-4-6-8-20)16-23(28)26-22-15-18(24(29)32-2)11-14-21(22)25/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyUHVFAMZIKSQXHJ-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.52
Rot. Bonds8

About methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate

methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate (PubChem CID 126271518) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate
PubChem CID126271518
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Namemethyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate
SMILESCCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H23ClN2O5S/c1-3-17-9-12-19(13-10-17)27(33(30,31)20-7-5-4-6-8-20)16-23(28)26-22-15-18(24(29)32-2)11-14-21(22)25/h4-15H,3,16H2,1-2H3,(H,26,28)
InChIKeyUHVFAMZIKSQXHJ-UHFFFAOYSA-N
XLogP4.52
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate with MolForge

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Related Compounds

methyl 3-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-4-methylbenzoate
CID 2227268
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 3996384
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1320251
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,5-dichlorophenyl)acetamide
CID 126338098
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-(2,5-dimethoxyphenyl)acetamide
CID 126033857
methyl 4-chloro-3-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 2209535
methyl 3-[[2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetyl]amino]-4-methylbenzoate
CID 126414847
methyl 2-chloro-5-[[2-(4-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzoate
CID 126413122
2-(N-(4-chlorophenyl)sulfonylanilino)-N-(2,5-dichlorophenyl)acetamide
CID 126320810
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-ethylphenyl)acetamide
CID 53281300
methyl 5-[[2-[N-(benzenesulfonyl)-4-methylanilino]acetyl]amino]-2-chlorobenzoate
CID 126269807
2-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 126033185

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate (CID 126271518) is methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate is CCc1ccc(N(CC(=O)Nc2cc(C(=O)OC)ccc2Cl)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate?
The InChIKey is UHVFAMZIKSQXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-3-17-9-12-19(13-10-17)27(33(30,31)20-7-5-4-6-8-20)16-23(28)26-22-15-18(24(29)32-2)11-14-21(22)25/h4-15H,3,16H2,1-2H3,(H,26,28).
What are the key properties of methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate?
methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate has a molecular weight of 486.98 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[N-(benzenesulfonyl)-4-ethylanilino]acetyl]amino]-4-chlorobenzoate is sourced from PubChem (CID 126271518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).