N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide

C19H17N3O4S — CID 139878374

IUPACN-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O4S/c1-13(23)20-16-7-4-8-18(12-16)27(25,26)22-19(24)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWHJFFWJASYHDAZ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.31
Rot. Bonds4

About N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide

N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide (PubChem CID 139878374) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
PubChem CID139878374
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc3ccccc3c2)c1
InChIInChI=1S/C19H17N3O4S/c1-13(23)20-16-7-4-8-18(12-16)27(25,26)22-19(24)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,1H3,(H,20,23)(H2,21,22,24)
InChIKeyWHJFFWJASYHDAZ-UHFFFAOYSA-N
XLogP3.31
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-naphthalen-1-yl-3-[3-[[4-[4-[[3-(naphthalen-1-ylcarbamoylamino)phenyl]sulfonylcarbamoylamino]phenoxy]phenyl]carbamoylsulfamoyl]phenyl]urea
CID 139806277
1-methyl-3-naphthalen-2-ylurea
CID 3454681
1-[3-(tert-butylcarbamothioylamino)phenyl]sulfonyl-3-phenylurea
CID 139878364
3-methyl-N-[3-(phenylcarbamoylsulfamoyl)phenyl]benzamide
CID 139878378
1-methyl-3-[3-[3-[(6-methylnaphthalen-2-yl)carbamoylamino]phenyl]sulfonylphenyl]urea
CID 54539781
trisodium;3-[[7-[[7-[(3-sulfonatophenyl)sulfamoyl]naphthalen-2-yl]carbamoylamino]naphthalen-2-yl]sulfonylamino]benzenesulfonate;hydroxide
CID 11491420
N-[3-(2-phenylethylcarbamoylamino)phenyl]sulfonylacetamide
CID 70284914
1-(benzenesulfonyl)-3-(3,4-dimethylphenyl)urea;ethane
CID 91616190
3-(benzenesulfonylcarbamoylamino)-N-methylbenzamide
CID 22564876
(3-acetamidophenyl)sulfonyl 3-acetamidobenzenesulfonate
CID 57013358
1-(benzenesulfonyl)-3-[3-(benzenesulfonylcarbamoylamino)-4-methylphenyl]urea
CID 19607159
N-[3-[3-(naphthalen-2-ylsulfonylamino)pyrazin-2-yl]phenyl]acetamide
CID 126474142

Frequently Asked Questions

What is the IUPAC name of N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide (CID 139878374) is N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide is CC(=O)Nc1cccc(S(=O)(=O)NC(=O)Nc2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide?
The InChIKey is WHJFFWJASYHDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-13(23)20-16-7-4-8-18(12-16)27(25,26)22-19(24)21-17-10-9-14-5-2-3-6-15(14)11-17/h2-12H,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide?
N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide has a molecular weight of 383.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(naphthalen-2-ylcarbamoylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 139878374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).