N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide

C19H23N3O3S — CID 120722247

IUPACN-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCCc3cc(N)ccc32)ccc1C
InChIInChI=1S/C19H23N3O3S/c1-12-6-8-16(11-19(12)21-13(2)23)26(24,25)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18,22H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyQFGSXXWOPHVTCQ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.89
Rot. Bonds4

About N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide

N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide (PubChem CID 120722247) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
PubChem CID120722247
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)NC2CCCc3cc(N)ccc32)ccc1C
InChIInChI=1S/C19H23N3O3S/c1-12-6-8-16(11-19(12)21-13(2)23)26(24,25)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18,22H,3-5,20H2,1-2H3,(H,21,23)
InChIKeyQFGSXXWOPHVTCQ-UHFFFAOYSA-N
XLogP2.89
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120721948
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
1-acetyl-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120722274
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-4-methylbenzenesulfonamide
CID 79723350
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120722427
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266

Frequently Asked Questions

What is the IUPAC name of N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide?
The IUPAC name of N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide (CID 120722247) is N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide?
The canonical SMILES for N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide is CC(=O)Nc1cc(S(=O)(=O)NC2CCCc3cc(N)ccc32)ccc1C.
What is the InChIKey of N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide?
The InChIKey is QFGSXXWOPHVTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-12-6-8-16(11-19(12)21-13(2)23)26(24,25)22-18-5-3-4-14-10-15(20)7-9-17(14)18/h6-11,18,22H,3-5,20H2,1-2H3,(H,21,23).
What are the key properties of N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide?
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide has a molecular weight of 373.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide is sourced from PubChem (CID 120722247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).