N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide

C19H19N3O3S — CID 69048670

IUPACN-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(N)cc3)cccc12
InChIInChI=1S/C19H19N3O3S/c1-13(23)22-18-6-2-5-17-16(18)4-3-7-19(17)26(24,25)21-12-14-8-10-15(20)11-9-14/h2-11,21H,12,20H2,1H3,(H,22,23)
InChIKeyMPANNFNWRZLEDX-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds5

About N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide

N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide (PubChem CID 69048670) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
PubChem CID69048670
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
SMILESCC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(N)cc3)cccc12
InChIInChI=1S/C19H19N3O3S/c1-13(23)22-18-6-2-5-17-16(18)4-3-7-19(17)26(24,25)21-12-14-8-10-15(20)11-9-14/h2-11,21H,12,20H2,1H3,(H,22,23)
InChIKeyMPANNFNWRZLEDX-UHFFFAOYSA-N
XLogP2.86
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(3,4-dichlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69118403
N-[5-[(2-chlorophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide
CID 69048605
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-(5-sulfamoylnaphthalen-1-yl)acetamide
CID 3403698
[4-[[(5-acetamidonaphthalen-1-yl)sulfonylamino]methyl]cyclohexyl]methylcarbamic acid
CID 69028182
5-amino-N-[(4-tert-butylphenyl)methyl]naphthalene-1-sulfonamide
CID 69050845
5-amino-N-[(4-methylphenyl)methyl]naphthalene-1-sulfonamide;hydrochloride
CID 69048090
5-[(1-acetylpiperidin-4-yl)amino]-N-benzylnaphthalene-1-sulfonamide;dihydrochloride
CID 164617854
N-[(3-aminophenyl)methyl]-5-hydroxynaphthalene-1-sulfonamide
CID 10149841
N-benzyl-5-hydroxynaphthalene-1-sulfonamide
CID 10171893
chloro 5-acetamidonaphthalene-1-sulfonate
CID 141053746
4-[(naphthalen-1-ylsulfonylamino)methyl]benzoic acid
CID 67120728

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The IUPAC name of N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide (CID 69048670) is N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide.
What is the SMILES notation for N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The canonical SMILES for N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide is CC(=O)Nc1cccc2c(S(=O)(=O)NCc3ccc(N)cc3)cccc12.
What is the InChIKey of N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
The InChIKey is MPANNFNWRZLEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-13(23)22-18-6-2-5-17-16(18)4-3-7-19(17)26(24,25)21-12-14-8-10-15(20)11-9-14/h2-11,21H,12,20H2,1H3,(H,22,23).
What are the key properties of N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide?
N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide has a molecular weight of 369.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-aminophenyl)methylsulfamoyl]naphthalen-1-yl]acetamide is sourced from PubChem (CID 69048670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).