N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

C19H25NO5S — CID 94143746

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1
InChIInChI=1S/C19H25NO5S/c1-13-10-16(23-3)11-14(2)19(13)26(21,22)20-9-8-15-6-7-17(24-4)18(12-15)25-5/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyYCFRMXBEIIQRLU-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 94143746) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID94143746
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1
InChIInChI=1S/C19H25NO5S/c1-13-10-16(23-3)11-14(2)19(13)26(21,22)20-9-8-15-6-7-17(24-4)18(12-15)25-5/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyYCFRMXBEIIQRLU-UHFFFAOYSA-N
XLogP2.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2,6-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]benzenesulfonamide
CID 110789471
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 2961539
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110755855
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 20970523
N-[2-(4-ethoxyphenyl)ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3527487
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
4-[(2R)-butan-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 25467365
4-methoxy-2,6-dimethyl-N-[2-(1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 110717621

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 94143746) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is YCFRMXBEIIQRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-13-10-16(23-3)11-14(2)19(13)26(21,22)20-9-8-15-6-7-17(24-4)18(12-15)25-5/h6-7,10-12,20H,8-9H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 94143746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).