methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate

C22H29N3O5S — CID 17392379

IUPACmethyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(C(=O)OC)ccc2C)c1
InChIInChI=1S/C22H29N3O5S/c1-6-25(7-2)31(28,29)18-11-9-15(3)19(13-18)23-14-21(26)24-20-12-17(22(27)30-5)10-8-16(20)4/h8-13,23H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyKKNQOUYMOUQNJG-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.17
Rot. Bonds9

About methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate

methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate (PubChem CID 17392379) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
PubChem CID17392379
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Namemethyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(C(=O)OC)ccc2C)c1
InChIInChI=1S/C22H29N3O5S/c1-6-25(7-2)31(28,29)18-11-9-15(3)19(13-18)23-14-21(26)24-20-12-17(22(27)30-5)10-8-16(20)4/h8-13,23H,6-7,14H2,1-5H3,(H,24,26)
InChIKeyKKNQOUYMOUQNJG-UHFFFAOYSA-N
XLogP3.17
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate with MolForge

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Related Compounds

methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
N-(5-chloro-2-methylphenyl)-2-[5-(diethylsulfamoyl)-2-methylanilino]acetamide
CID 17396256
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(2,5-dimethylanilino)acetamide
CID 26505603
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
CID 24510131
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(3,5-dimethylanilino)acetamide
CID 25486173
2-chloro-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 3606084
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-4-methylbenzoate
CID 17476649
2-[5-(diethylsulfamoyl)-2-methylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9100235
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-hydroxybenzoate
CID 7483419
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[(2-methoxydibenzofuran-3-yl)amino]acetamide
CID 24583228

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate (CID 17392379) is methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(C(=O)OC)ccc2C)c1.
What is the InChIKey of methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate?
The InChIKey is KKNQOUYMOUQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-6-25(7-2)31(28,29)18-11-9-15(3)19(13-18)23-14-21(26)24-20-12-17(22(27)30-5)10-8-16(20)4/h8-13,23H,6-7,14H2,1-5H3,(H,24,26).
What are the key properties of methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate?
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate has a molecular weight of 447.56 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate is sourced from PubChem (CID 17392379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).