2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C23H31N3O3S — CID 133191316

IUPAC2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H31N3O3S/c1-4-22(20-15-14-18-10-8-9-11-19(18)16-20)24-23(27)17-26(30(28,29)25(2)3)21-12-6-5-7-13-21/h5-7,12-16,22H,4,8-11,17H2,1-3H3,(H,24,27)
InChIKeyWBDOPXIPCBBYDC-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.45
Rot. Bonds8

About 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 133191316) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID133191316
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H31N3O3S/c1-4-22(20-15-14-18-10-8-9-11-19(18)16-20)24-23(27)17-26(30(28,29)25(2)3)21-12-6-5-7-13-21/h5-7,12-16,22H,4,8-11,17H2,1-3H3,(H,24,27)
InChIKeyWBDOPXIPCBBYDC-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 125084422
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191102
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191146
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191120
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191104
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191155
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191288
2-[2,3-dihydro-1,4-benzodioxin-6-yl(ethylsulfonyl)amino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191433
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191219
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 133191306
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 133191316) is 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is WBDOPXIPCBBYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-4-22(20-15-14-18-10-8-9-11-19(18)16-20)24-23(27)17-26(30(28,29)25(2)3)21-12-6-5-7-13-21/h5-7,12-16,22H,4,8-11,17H2,1-3H3,(H,24,27).
What are the key properties of 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 429.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)anilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 133191316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).