N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide

C20H27NO4S — CID 3527487

IUPACN-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1
InChIInChI=1S/C20H27NO4S/c1-6-25-18-9-7-17(8-10-18)11-12-21-26(22,23)20-14(2)13-19(24-5)15(3)16(20)4/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeyFZNLAPOWIRIMHB-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide

N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide (PubChem CID 3527487) has the molecular formula C20H27NO4S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
PubChem CID3527487
Molecular FormulaC20H27NO4S
Molecular Weight377.51 g/mol
Exact Mass377.17
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1
InChIInChI=1S/C20H27NO4S/c1-6-25-18-9-7-17(8-10-18)11-12-21-26(22,23)20-14(2)13-19(24-5)15(3)16(20)4/h7-10,13,21H,6,11-12H2,1-5H3
InChIKeyFZNLAPOWIRIMHB-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2,3,6-trimethyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 3602682
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
N-[(4-bromophenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3781710
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 94143746
N-[(3,5-dimethoxyphenyl)methyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 5014375
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
2-(4-ethoxyphenyl)-N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108573136
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-methoxy-2,3,6-trimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 5163002
4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide (CID 3527487) is N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide is CCOc1ccc(CCNS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
The InChIKey is FZNLAPOWIRIMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO4S/c1-6-25-18-9-7-17(8-10-18)11-12-21-26(22,23)20-14(2)13-19(24-5)15(3)16(20)4/h7-10,13,21H,6,11-12H2,1-5H3.
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide?
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 3527487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).