N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide

C29H30N2O6S2 — CID 1101866

IUPACN-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H30N2O6S2/c1-20-5-11-24(12-6-20)38(32,33)30-26-15-9-22(18-28(26)36-3)17-23-10-16-27(29(19-23)37-4)31-39(34,35)25-13-7-21(2)8-14-25/h5-16,18-19,30-31H,17H2,1-4H3
InChIKeyHKVLTTLFRLKBTG-UHFFFAOYSA-N
MW566.70 g/mol
LogP5.51
Rot. Bonds10

About N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide

N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 1101866) has the molecular formula C29H30N2O6S2 and a molecular weight of 566.70 g/mol. Its IUPAC name is N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID1101866
Molecular FormulaC29H30N2O6S2
Molecular Weight566.70 g/mol
Exact Mass566.15
IUPAC NameN-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C29H30N2O6S2/c1-20-5-11-24(12-6-20)38(32,33)30-26-15-9-22(18-28(26)36-3)17-23-10-16-27(29(19-23)37-4)31-39(34,35)25-13-7-21(2)8-14-25/h5-16,18-19,30-31H,17H2,1-4H3
InChIKeyHKVLTTLFRLKBTG-UHFFFAOYSA-N
XLogP5.51
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 104847775
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
N-[4-(dimethylamino)-2-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169371060
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 121315047
N-(4-fluoro-2-methoxyphenyl)-3-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 71196933
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
4-(bromomethyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 65481190
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide (CID 1101866) is N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide is COc1cc(Cc2ccc(NS(=O)(=O)c3ccc(C)cc3)c(OC)c2)ccc1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is HKVLTTLFRLKBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O6S2/c1-20-5-11-24(12-6-20)38(32,33)30-26-15-9-22(18-28(26)36-3)17-23-10-16-27(29(19-23)37-4)31-39(34,35)25-13-7-21(2)8-14-25/h5-16,18-19,30-31H,17H2,1-4H3.
What are the key properties of N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 566.70 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[3-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]methyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1101866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).