N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

C18H23NO4S — CID 8795214

IUPACN-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCCOc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO4S/c1-5-23-16-9-7-15(8-10-16)13-19(3)24(20,21)18-12-14(2)6-11-17(18)22-4/h6-12H,5,13H2,1-4H3
InChIKeyJYXZQXXYASOMJB-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.22
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide

N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (PubChem CID 8795214) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
PubChem CID8795214
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
SMILESCCOc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C18H23NO4S/c1-5-23-16-9-7-15(8-10-16)13-19(3)24(20,21)18-12-14(2)6-11-17(18)22-4/h6-12H,5,13H2,1-4H3
InChIKeyJYXZQXXYASOMJB-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8797935
N-(4-ethoxyphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetamide
CID 2989117
2-methoxy-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 9190925
2-methoxy-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 8796550
2-methoxy-N,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715765
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1294275
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]acetate
CID 7473070
N-[(5-bromothiophen-2-yl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 8818376
2-methoxy-N-[(6-methoxy-2-pyridinyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 99844494
2-(4-chloro-N-(2-methoxy-5-methylphenyl)sulfonylanilino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100796116
N-(5-hydroxypentyl)-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 107203068
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-propylacetamide
CID 3271656

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide (CID 8795214) is N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is CCOc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
The InChIKey is JYXZQXXYASOMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-23-16-9-7-15(8-10-16)13-19(3)24(20,21)18-12-14(2)6-11-17(18)22-4/h6-12H,5,13H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide?
N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-methoxy-N,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 8795214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).