N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide

C18H23NO5S — CID 7937784

IUPACN-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H23NO5S/c1-5-24-15-8-10-17(11-9-15)25(20,21)19(2)13-14-6-7-16(22-3)12-18(14)23-4/h6-12H,5,13H2,1-4H3
InChIKeyODUGZPLVYVVWIM-UHFFFAOYSA-N
MW365.45 g/mol
LogP2.92
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide

N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide (PubChem CID 7937784) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
PubChem CID7937784
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1
InChIInChI=1S/C18H23NO5S/c1-5-24-15-8-10-17(11-9-15)25(20,21)19(2)13-14-6-7-16(22-3)12-18(14)23-4/h6-12H,5,13H2,1-4H3
InChIKeyODUGZPLVYVVWIM-UHFFFAOYSA-N
XLogP2.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methylnaphthalene-2-sulfonamide
CID 4885068
1-(2,4-dimethoxyphenyl)-N-methyl-N-[S-methyl-N-(2,2,2-trifluoroethyl)sulfonimidoyl]methanamine
CID 118869781
4-methoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzenesulfonamide
CID 30328089
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N,4-dimethyl-5-nitrobenzenesulfonamide
CID 8797806
4-ethoxy-N-methyl-N-[(2-nitrophenyl)methyl]benzenesulfonamide
CID 34107068
N-(4-ethoxyphenyl)sulfonyl-2,5-dimethoxy-N-propylbenzenesulfonamide
CID 4785615
N-[(2-ethoxyphenyl)methyl]-N,4-dimethylbenzenesulfonamide
CID 26003303
1-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 26541895
4-bromo-2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 30329505
1-[3-(2,4-dimethoxyphenyl)propyl]-4-ethoxy-2-methoxybenzene
CID 139826457
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-5-nitrobenzenesulfonamide
CID 175573139
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide (CID 7937784) is N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(OC)cc2OC)cc1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide?
The InChIKey is ODUGZPLVYVVWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-5-24-15-8-10-17(11-9-15)25(20,21)19(2)13-14-6-7-16(22-3)12-18(14)23-4/h6-12H,5,13H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide?
N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-4-ethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 7937784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).