3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide

C22H22N4O4S — CID 166201010

IUPAC3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C22H22N4O4S/c1-14-12-16(13-20(15(14)2)31(23,29)30)21(27)24-18-8-10-19(11-9-18)26-22(28)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,27)(H2,23,29,30)(H2,25,26,28)
InChIKeyHOIMKEHJDZHQEQ-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.85
Rot. Bonds5

About 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide

3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide (PubChem CID 166201010) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
PubChem CID166201010
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(S(N)(=O)=O)c1C
InChIInChI=1S/C22H22N4O4S/c1-14-12-16(13-20(15(14)2)31(23,29)30)21(27)24-18-8-10-19(11-9-18)26-22(28)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,27)(H2,23,29,30)(H2,25,26,28)
InChIKeyHOIMKEHJDZHQEQ-UHFFFAOYSA-N
XLogP3.85
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
N-(4-imidazol-1-ylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86920862
N-(3-chloro-2-methylphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 34857713
3,4-dimethyl-5-[[3-(phenylcarbamoylamino)phenyl]sulfamoyl]benzoic acid
CID 24622089
N-(4-fluorophenyl)-4-methyl-3-sulfamoylbenzamide
CID 9070427
N-tert-butyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 60656146
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-(sulfamoylamino)phenyl]benzamide
CID 55551931
N-ethyl-3,4-dimethyl-5-sulfamoylbenzamide
CID 47109334
[1-oxo-1-(4-phenoxyanilino)propan-2-yl] 3,4-dimethyl-5-sulfamoylbenzoate
CID 46812224
3-[(3,4-dimethyl-5-sulfamoylbenzoyl)amino]propanoic acid
CID 119177471
3,5-dimethoxy-4-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 39764163

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide (CID 166201010) is 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide is Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc(S(N)(=O)=O)c1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide?
The InChIKey is HOIMKEHJDZHQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-14-12-16(13-20(15(14)2)31(23,29)30)21(27)24-18-8-10-19(11-9-18)26-22(28)25-17-6-4-3-5-7-17/h3-13H,1-2H3,(H,24,27)(H2,23,29,30)(H2,25,26,28).
What are the key properties of 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide?
3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide has a molecular weight of 438.51 g/mol, XLogP of 3.85, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(phenylcarbamoylamino)phenyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 166201010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).