3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate

C19H21N2O5S- — CID 7516664

IUPAC3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C
InChIInChI=1S/C19H22N2O5S/c1-4-9-20-18(22)15-7-5-6-8-16(15)21-27(25,26)17-11-14(19(23)24)10-12(2)13(17)3/h5-8,10-11,21H,4,9H2,1-3H3,(H,20,22)(H,23,24)/p-1
InChIKeyCQAYIXIJESAZPN-UHFFFAOYSA-M
MW389.45 g/mol
LogP1.61
Rot. Bonds7

About 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate

3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate (PubChem CID 7516664) has the molecular formula C19H21N2O5S- and a molecular weight of 389.45 g/mol. Its IUPAC name is 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
PubChem CID7516664
Molecular FormulaC19H21N2O5S-
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC Name3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate
SMILESCCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C
InChIInChI=1S/C19H22N2O5S/c1-4-9-20-18(22)15-7-5-6-8-16(15)21-27(25,26)17-11-14(19(23)24)10-12(2)13(17)3/h5-8,10-11,21H,4,9H2,1-3H3,(H,20,22)(H,23,24)/p-1
InChIKeyCQAYIXIJESAZPN-UHFFFAOYSA-M
XLogP1.61
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 24510149
2-[(2-methyl-5-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 40690037
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 4303867
3-[(5-chloro-2-fluorophenyl)sulfamoyl]-4,5-dimethylbenzoate
CID 9238951
3,4-dimethyl-5-[[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]sulfamoyl]benzoic acid
CID 51515581
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 35990783
2-[(5-fluorothiophen-2-yl)sulfonylamino]-N-propylbenzamide
CID 91969524
N-(2-phenylethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzamide
CID 2336942
2-[(3-nitrophenyl)sulfonylamino]-N-propylbenzamide
CID 2966829
3,4-dimethyl-5-[[2-(1-phenylethylcarbamoyl)phenyl]sulfamoyl]benzoic acid
CID 24671753
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 126413232
2-[(2,3-dimethyl-5-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 40687985

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate (CID 7516664) is 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate is CCCNC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C.
What is the InChIKey of 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate?
The InChIKey is CQAYIXIJESAZPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H22N2O5S/c1-4-9-20-18(22)15-7-5-6-8-16(15)21-27(25,26)17-11-14(19(23)24)10-12(2)13(17)3/h5-8,10-11,21H,4,9H2,1-3H3,(H,20,22)(H,23,24)/p-1.
What are the key properties of 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate?
3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate has a molecular weight of 389.45 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-[[2-(propylcarbamoyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 7516664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).