N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide

C19H21N3O5S — CID 5167519

IUPACN-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-12(2)18(24)21-16-6-4-5-14(11-16)19(25)20-15-7-9-17(10-8-15)28(26,27)22-13(3)23/h4-12H,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyUQWVAAPHSCIIDM-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.36
Rot. Bonds6

About N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide

N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide (PubChem CID 5167519) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
PubChem CID5167519
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1
InChIInChI=1S/C19H21N3O5S/c1-12(2)18(24)21-16-6-4-5-14(11-16)19(25)20-15-7-9-17(10-8-15)28(26,27)22-13(3)23/h4-12H,1-3H3,(H,20,25)(H,21,24)(H,22,23)
InChIKeyUQWVAAPHSCIIDM-UHFFFAOYSA-N
XLogP2.36
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1214324
N-(4-iodophenyl)-3-(2-methylpropanoylamino)benzamide
CID 3737754
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
3-acetamido-N-[4-[(4-iodophenyl)sulfamoyl]phenyl]benzamide
CID 2114640
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
3-(2-methylpropanoylamino)-N-[4-[[(2R)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094236
N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
N-[4-(acetylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 2422278
3-acetamido-N-[4-[[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]sulfamoyl]phenyl]benzamide
CID 98444087
N-(3-chloro-4-methylphenyl)-3-(2-methylpropanoylamino)benzamide
CID 2937599
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664

Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide (CID 5167519) is N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide?
The InChIKey is UQWVAAPHSCIIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-12(2)18(24)21-16-6-4-5-14(11-16)19(25)20-15-7-9-17(10-8-15)28(26,27)22-13(3)23/h4-12H,1-3H3,(H,20,25)(H,21,24)(H,22,23).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide?
N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide has a molecular weight of 403.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-3-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 5167519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).