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

C38H43N3O6S — CID 156717586

IUPAC3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CC(=O)N(C)C2c3cc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)ccc3CCC2(C)C)c1
InChIInChI=1S/C38H43N3O6S/c1-38(2)19-18-26-14-16-30(24-32(26)36(38)41(5)35(42)21-25-10-8-13-31(20-25)46-6)39-48(44,45)34-23-28(15-17-33(34)47-7)27-11-9-12-29(22-27)37(43)40(3)4/h8-17,20,22-24,36,39H,18-19,21H2,1-7H3
InChIKeyCXPHWXRZEMICPY-UHFFFAOYSA-N
MW669.84 g/mol
LogP6.59
Rot. Bonds10

About 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

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 (PubChem CID 156717586) has the molecular formula C38H43N3O6S and a molecular weight of 669.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
PubChem CID156717586
Molecular FormulaC38H43N3O6S
Molecular Weight669.84 g/mol
Exact Mass669.29
IUPAC Name3-[4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
SMILESCOc1cccc(CC(=O)N(C)C2c3cc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)ccc3CCC2(C)C)c1
InChIInChI=1S/C38H43N3O6S/c1-38(2)19-18-26-14-16-30(24-32(26)36(38)41(5)35(42)21-25-10-8-13-31(20-25)46-6)39-48(44,45)34-23-28(15-17-33(34)47-7)27-11-9-12-29(22-27)37(43)40(3)4/h8-17,20,22-24,36,39H,18-19,21H2,1-7H3
InChIKeyCXPHWXRZEMICPY-UHFFFAOYSA-N
XLogP6.59
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.84
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4-methoxy-3-[[8-[[2-(3-methoxyphenyl)acetyl]-methylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]sulfamoyl]-N,N-dimethylbenzamide
CID 156717607
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-[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-[4-methoxy-3-[[3-(methylamino)phenyl]sulfamoyl]phenyl]-N,N-dimethylbenzamide
CID 135173375
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
N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methoxy-N-methylbenzamide
CID 122610507
N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]-2-methylpyrazole-3-carboxamide
CID 122610600
3-[3-[(3-ethylphenyl)methylsulfonyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 158055999
3-cyano-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]benzamide
CID 122610596
3-[3-[[3-[(3S)-1-[2-(dimethylamino)benzoyl]pyrrolidin-3-yl]oxyphenyl]sulfamoyl]-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 150087320
5-chloro-N-[2-[3-[[5-[3-(dimethylcarbamoyl)phenyl]-2-methoxyphenyl]sulfonylamino]anilino]ethyl]thiophene-2-carboxamide
CID 122610613
3-[3-[(1S)-1-iodoethyl]sulfonyl-4-methoxyphenyl]-N,N-dimethylbenzamide
CID 145204144

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CC(=O)N(C)C2c3cc(NS(=O)(=O)c4cc(-c5cccc(C(=O)N(C)C)c5)ccc4OC)ccc3CCC2(C)C)c1.
What is the InChIKey of 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?
The InChIKey is CXPHWXRZEMICPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43N3O6S/c1-38(2)19-18-26-14-16-30(24-32(26)36(38)41(5)35(42)21-25-10-8-13-31(20-25)46-6)39-48(44,45)34-23-28(15-17-33(34)47-7)27-11-9-12-29(22-27)37(43)40(3)4/h8-17,20,22-24,36,39H,18-19,21H2,1-7H3.
What are the key properties of 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?
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 has a molecular weight of 669.84 g/mol, XLogP of 6.59, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156717586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).