4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

C21H27NO3S — CID 51066218

IUPAC4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C21H27NO3S/c1-16(15-17-9-5-4-6-10-17)22(2)26(23,24)21-14-13-20(25-3)18-11-7-8-12-19(18)21/h4-6,9-10,13-14,16H,7-8,11-12,15H2,1-3H3
InChIKeyFQEBFKYTTFMWMH-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.83
Rot. Bonds6

About 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide

4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (PubChem CID 51066218) has the molecular formula C21H27NO3S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
PubChem CID51066218
Molecular FormulaC21H27NO3S
Molecular Weight373.52 g/mol
Exact Mass373.17
IUPAC Name4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C21H27NO3S/c1-16(15-17-9-5-4-6-10-17)22(2)26(23,24)21-14-13-20(25-3)18-11-7-8-12-19(18)21/h4-6,9-10,13-14,16H,7-8,11-12,15H2,1-3H3
InChIKeyFQEBFKYTTFMWMH-UHFFFAOYSA-N
XLogP3.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[butan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102694697
4-[1-hydroxypropan-2-yl(methyl)sulfamoyl]-3-methoxybenzoic acid
CID 102695383
4-(hydroxymethyl)-2-methoxy-N-methyl-N-pentan-2-ylbenzenesulfonamide
CID 102703965
N,N-dimethyl-1-phenylpropan-2-amine;iodomethane
CID 23619188
N-benzyl-5-(hydroxymethyl)-2-methoxy-N-propan-2-ylbenzenesulfonamide
CID 113241762
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
3-[benzyl(methyl)sulfamoyl]-N-cyclopentyl-4-methoxy-N-propan-2-ylbenzamide
CID 56517189
2-[(2-methoxy-4,6-dimethylphenyl)sulfonyl-methylamino]-3-phenylpropanoic acid
CID 167964395
2-[2-(dimethylsulfamoyl)-4,5-dimethoxyphenyl]-N-(2-phenyl-1-pyrrolidin-1-ylethyl)propanamide
CID 91196172
2,5-dimethoxy-4-methyl-N-(1-phenylbutan-2-yl)benzenesulfonamide
CID 19132718
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
CID 27740220
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The IUPAC name of 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide (CID 51066218) is 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The canonical SMILES for 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)Cc2ccccc2)c2c1CCCC2.
What is the InChIKey of 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
The InChIKey is FQEBFKYTTFMWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3S/c1-16(15-17-9-5-4-6-10-17)22(2)26(23,24)21-14-13-20(25-3)18-11-7-8-12-19(18)21/h4-6,9-10,13-14,16H,7-8,11-12,15H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide?
4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide has a molecular weight of 373.52 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-(1-phenylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-1-sulfonamide is sourced from PubChem (CID 51066218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).