4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid

C19H22N2O5S — CID 45337189

IUPAC4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-16(11-6-13(17)3)20-18(22)14-7-9-15(10-8-14)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyXONNQUGVPMBHBC-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.98
Rot. Bonds7

About 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid

4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid (PubChem CID 45337189) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
PubChem CID45337189
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1C
InChIInChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-16(11-6-13(17)3)20-18(22)14-7-9-15(10-8-14)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24)
InChIKeyXONNQUGVPMBHBC-UHFFFAOYSA-N
XLogP2.98
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995
4-butoxy-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 18205717
3-(diethylsulfamoyl)-4-methyl-N-(4-methylphenyl)benzamide
CID 2876161
N-[3-(diethylsulfamoyl)-4-methylphenyl]naphthalene-2-carboxamide
CID 18285223
3-(diethylsulfamoyl)-4-methyl-N-(3-methylphenyl)benzamide
CID 2540395
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 26759503
3-(diethylsulfamoyl)-N-(3-ethylphenyl)-4-methylbenzamide
CID 26736506
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1,3-benzothiazole-6-carboxamide
CID 9101706
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 30880575

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid (CID 45337189) is 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(C(=O)O)cc2)ccc1C.
What is the InChIKey of 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid?
The InChIKey is XONNQUGVPMBHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-4-21(5-2)27(25,26)17-12-16(11-6-13(17)3)20-18(22)14-7-9-15(10-8-14)19(23)24/h6-12H,4-5H2,1-3H3,(H,20,22)(H,23,24).
What are the key properties of 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid?
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid has a molecular weight of 390.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 45337189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).