N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

C19H25NO4S — CID 39847542

IUPACN-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-6-24-17-10-8-7-9-16(17)20-25(21,22)19-12-15(13(2)3)14(4)11-18(19)23-5/h7-13,20H,6H2,1-5H3
InChIKeyKZLFFGLQKSJKOO-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.33
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide

N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 39847542) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID39847542
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC
InChIInChI=1S/C19H25NO4S/c1-6-24-17-10-8-7-9-16(17)20-25(21,22)19-12-15(13(2)3)14(4)11-18(19)23-5/h7-13,20H,6H2,1-5H3
InChIKeyKZLFFGLQKSJKOO-UHFFFAOYSA-N
XLogP4.33
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 50876640
2-ethoxy-4-methyl-5-propan-2-yl-N-quinolin-8-ylbenzenesulfonamide
CID 136574217
N-(2-ethoxyphenyl)-2,4-dimethylbenzenesulfonamide
CID 7742393
2-bromo-N-(2-ethoxyphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658176
N-[(2R)-butan-2-yl]-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide
CID 39845386
4,6-dimethoxy-1-N,3-N-bis(2-methoxyphenyl)benzene-1,3-disulfonamide
CID 17349147
4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
2-[3-[(2-ethoxyphenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060136
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
2,5-diethoxy-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 39845568
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide (CID 39847542) is N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1cc(C(C)C)c(C)cc1OC.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is KZLFFGLQKSJKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-6-24-17-10-8-7-9-16(17)20-25(21,22)19-12-15(13(2)3)14(4)11-18(19)23-5/h7-13,20H,6H2,1-5H3.
What are the key properties of N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide?
N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methoxy-4-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 39847542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).