[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

C19H22N2O5S — CID 7537038

IUPAC[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-3-11-20-27(24,25)16-9-6-8-15(12-16)19(23)26-13-18(22)21-17-10-5-4-7-14(17)2/h4-10,12,20H,3,11,13H2,1-2H3,(H,21,22)
InChIKeyNMXRBJWPQSGCQR-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.48
Rot. Bonds8

About [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate

[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (PubChem CID 7537038) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
PubChem CID7537038
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
SMILESCCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1
InChIInChI=1S/C19H22N2O5S/c1-3-11-20-27(24,25)16-9-6-8-15(12-16)19(23)26-13-18(22)21-17-10-5-4-7-14(17)2/h4-10,12,20H,3,11,13H2,1-2H3,(H,21,22)
InChIKeyNMXRBJWPQSGCQR-UHFFFAOYSA-N
XLogP2.48
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-ethoxyanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7537050
[2-(2-methylanilino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528821
[2-oxo-2-(prop-2-ynylamino)ethyl] 3-(propylsulfamoyl)benzoate
CID 9330273
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-(2-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628242
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536863
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 9330312
[2-(2-bromoanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2607745
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 29141441
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(prop-2-ynylsulfamoyl)benzoate
CID 38851731
[2-(4-methoxyphenyl)-2-oxoethyl] 3-(propylsulfamoyl)benzoate
CID 7536992
[2-(2-acetylanilino)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 2605794

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The IUPAC name of [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate (CID 7537038) is [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is CCCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2C)c1.
What is the InChIKey of [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
The InChIKey is NMXRBJWPQSGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-11-20-27(24,25)16-9-6-8-15(12-16)19(23)26-13-18(22)21-17-10-5-4-7-14(17)2/h4-10,12,20H,3,11,13H2,1-2H3,(H,21,22).
What are the key properties of [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate?
[2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylanilino)-2-oxoethyl] 3-(propylsulfamoyl)benzoate is sourced from PubChem (CID 7537038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).