5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide

C18H24N2O6S2 — CID 58807083

IUPAC5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)NCCNS(=O)(=O)c2cc(OC)ccc2C)c1
InChIInChI=1S/C18H24N2O6S2/c1-13-5-7-15(25-3)11-17(13)27(21,22)19-9-10-20-28(23,24)18-12-16(26-4)8-6-14(18)2/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyJQQKETNZRUOOMB-UHFFFAOYSA-N
MW428.53 g/mol
LogP1.58
Rot. Bonds9

About 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide

5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide (PubChem CID 58807083) has the molecular formula C18H24N2O6S2 and a molecular weight of 428.53 g/mol. Its IUPAC name is 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
PubChem CID58807083
Molecular FormulaC18H24N2O6S2
Molecular Weight428.53 g/mol
Exact Mass428.11
IUPAC Name5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(S(=O)(=O)NCCNS(=O)(=O)c2cc(OC)ccc2C)c1
InChIInChI=1S/C18H24N2O6S2/c1-13-5-7-15(25-3)11-17(13)27(21,22)19-9-10-20-28(23,24)18-12-16(26-4)8-6-14(18)2/h5-8,11-12,19-20H,9-10H2,1-4H3
InChIKeyJQQKETNZRUOOMB-UHFFFAOYSA-N
XLogP1.58
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995
4-methoxy-1-methyl-2-methylsulfonylbenzene
CID 20773204
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
N-[2-(3-methoxyphenyl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113098177
N-[2-(ethylamino)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 62664941
4-methoxy-2-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789435
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113103104
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide (CID 58807083) is 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide is COc1ccc(C)c(S(=O)(=O)NCCNS(=O)(=O)c2cc(OC)ccc2C)c1.
What is the InChIKey of 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is JQQKETNZRUOOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S2/c1-13-5-7-15(25-3)11-17(13)27(21,22)19-9-10-20-28(23,24)18-12-16(26-4)8-6-14(18)2/h5-8,11-12,19-20H,9-10H2,1-4H3.
What are the key properties of 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide?
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 428.53 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 58807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).