3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide

C20H25N3O4S — CID 56510951

IUPAC3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-22-20(25)16-6-9-18(14(3)10-16)23-19(24)11-15-4-7-17(8-5-15)28(21,26)27/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyLTDSNSSQBOVFBS-UHFFFAOYSA-N
MW403.50 g/mol
LogP2.21
Rot. Bonds7

About 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide

3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide (PubChem CID 56510951) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
PubChem CID56510951
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC Name3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide
SMILESCc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H25N3O4S/c1-13(2)12-22-20(25)16-6-9-18(14(3)10-16)23-19(24)11-15-4-7-17(8-5-15)28(21,26)27/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyLTDSNSSQBOVFBS-UHFFFAOYSA-N
XLogP2.21
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylpropyl)-4-(3,4,4-trimethylpentanoylamino)benzamide
CID 86901347
3-methyl-4-[[2-[(4-methylcyclohexyl)sulfamoyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 56582986
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
4-[(1-aminocyclohexanecarbonyl)amino]-3-methyl-N-(2-methylpropyl)benzamide;hydrochloride
CID 119310067
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
3-methyl-N-(2-methylpropyl)-4-[[2-(4-propanoylphenoxy)acetyl]amino]benzamide
CID 49340244
3,4-dimethyl-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 18161684
4-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49397345
4-N-(4-bromo-2-methylphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043990
N-(2-methyl-4-sulfamoylphenyl)propanamide
CID 43133967
4-[[2-(2-acetylanilino)-2-oxoethyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49433503
4-[[2-(3-fluorophenoxy)acetyl]amino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340250

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide?
The IUPAC name of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide (CID 56510951) is 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide?
The canonical SMILES for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide is Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide?
The InChIKey is LTDSNSSQBOVFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-13(2)12-22-20(25)16-6-9-18(14(3)10-16)23-19(24)11-15-4-7-17(8-5-15)28(21,26)27/h4-10,13H,11-12H2,1-3H3,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide?
3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide has a molecular weight of 403.50 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylpropyl)-4-[[2-(4-sulfamoylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 56510951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).