4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide

C30H35N3O6S — CID 156717607

IUPAC4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(C(=O)N(C)C)ccc4OC)cc32)c1
InChIInChI=1S/C30H35N3O6S/c1-32(2)30(35)22-13-15-27(39-5)28(18-22)40(36,37)31-23-14-12-21-9-7-11-26(25(21)19-23)33(3)29(34)17-20-8-6-10-24(16-20)38-4/h6,8,10,12-16,18-19,26,31H,7,9,11,17H2,1-5H3
InChIKeyWOSUBCDSLPBKKU-UHFFFAOYSA-N
MW565.69 g/mol
LogP4.28
Rot. Bonds9

About 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide

4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 156717607) has the molecular formula C30H35N3O6S and a molecular weight of 565.69 g/mol. Its IUPAC name is 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID156717607
Molecular FormulaC30H35N3O6S
Molecular Weight565.69 g/mol
Exact Mass565.22
IUPAC Name4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(C(=O)N(C)C)ccc4OC)cc32)c1
InChIInChI=1S/C30H35N3O6S/c1-32(2)30(35)22-13-15-27(39-5)28(18-22)40(36,37)31-23-14-12-21-9-7-11-26(25(21)19-23)33(3)29(34)17-20-8-6-10-24(16-20)38-4/h6,8,10,12-16,18-19,26,31H,7,9,11,17H2,1-5H3
InChIKeyWOSUBCDSLPBKKU-UHFFFAOYSA-N
XLogP4.28
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.69
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-methoxy-2-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 156717597
3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]phenyl]-N-pyridin-4-ylprop-2-enamide
CID 172875312
3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 156717586
3-[3-[[(7S,8S)-8-[benzyl(methyl)amino]-7-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 163528634
3-(cyclopropylsulfamoyl)-4-methoxy-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 51933237
3-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-4-methoxybenzoic acid
CID 100726603
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
(3-methoxyphenyl)methyl 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 16619379
3-[(4-ethylphenyl)sulfamoyl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 17489130
3-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
3-[[3-(dimethylamino)-3-oxopropyl]sulfamoyl]-4-methoxy-N,N-dimethylbenzamide
CID 100829067
N-[4-(cyclopropanecarbonyl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 110604225

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide (CID 156717607) is 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide is COc1cccc(CC(=O)N(C)C2CCCc3ccc(NS(=O)(=O)c4cc(C(=O)N(C)C)ccc4OC)cc32)c1.
What is the InChIKey of 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is WOSUBCDSLPBKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N3O6S/c1-32(2)30(35)22-13-15-27(39-5)28(18-22)40(36,37)31-23-14-12-21-9-7-11-26(25(21)19-23)33(3)29(34)17-20-8-6-10-24(16-20)38-4/h6,8,10,12-16,18-19,26,31H,7,9,11,17H2,1-5H3.
What are the key properties of 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide?
4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 565.69 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 156717607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).