N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide

C19H17N3O4S — CID 1229322

IUPACN-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O4S/c1-13(23)20-15-9-11-16(12-10-15)27(25,26)22-21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyZEEPBTRCFMCEGL-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.42
Rot. Bonds5

About N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide

N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide (PubChem CID 1229322) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide
PubChem CID1229322
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H17N3O4S/c1-13(23)20-15-9-11-16(12-10-15)27(25,26)22-21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,22H,1H3,(H,20,23)(H,21,24)
InChIKeyZEEPBTRCFMCEGL-UHFFFAOYSA-N
XLogP2.42
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-Dioxobenzo[de]isoquinolin-2-yl)benzenesulfonamide
CID 1124687
N-{[(4-phenylphenyl)carbamoyl]amino}-4-sulfamoylbenzamide
CID 11407223
N-(4-phenylsulfamoyl-naphthalen-1-yl)-benzamide
CID 11774008
4-[[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 1728123
N-(4-sulfamoylphenyl)naphthalene-1-carboxamide
CID 788220
N-[4-(acetylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 1221316
N-(4-sulfamoylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7096324
3-[(E)-2-Fluoro-1-methyl-2-(2''-sulfamoyl-biphenyl-4-ylcarbamoyl)-vinyl]-benzamide
CID 22458374
N-(4-{[2-(2-methylbenzoyl)hydrazino]sulfonyl}phenyl)acetamide
CID 730403
N-[4-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)phenyl]acetamide
CID 777181
N-(4-{[(2,4-dimethylphenyl)amino]sulfonyl}phenyl)-4-biphenylcarboxamide
CID 1012890
N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226824

Frequently Asked Questions

What is the IUPAC name of N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide (CID 1229322) is N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide?
The InChIKey is ZEEPBTRCFMCEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13(23)20-15-9-11-16(12-10-15)27(25,26)22-21-19(24)18-8-4-6-14-5-2-3-7-17(14)18/h2-12,22H,1H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide?
N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(naphthalene-1-carbonylamino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 1229322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).