N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide

C19H25NO4S — CID 53285290

IUPACN-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-24-16-8-6-15(7-9-16)13-20-25(21,22)17-10-11-19(23-4)18(12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyORXCNIIPSMTUJL-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.70
Rot. Bonds8

About N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide

N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide (PubChem CID 53285290) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
PubChem CID53285290
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC NameN-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
SMILESCCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1
InChIInChI=1S/C19H25NO4S/c1-5-24-16-8-6-15(7-9-16)13-20-25(21,22)17-10-11-19(23-4)18(12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3
InChIKeyORXCNIIPSMTUJL-UHFFFAOYSA-N
XLogP3.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
N-[(3,4-diethoxyphenyl)methyl]-4-ethoxybenzenesulfonamide
CID 22206196
3,4-dimethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzenesulfonamide
CID 46778268
4-methoxy-N-pentyl-3-propan-2-ylbenzenesulfonamide
CID 9173546
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
4-methoxy-N-(3-methylbutyl)-3-propan-2-ylbenzenesulfonamide
CID 9172687
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxy-3-propan-2-ylbenzenesulfonamide
CID 5298036
N-[(4-aminophenyl)methyl]-4-ethoxybenzenesulfonamide
CID 39439996
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide (CID 53285290) is N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide is CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
The InChIKey is ORXCNIIPSMTUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-5-24-16-8-6-15(7-9-16)13-20-25(21,22)17-10-11-19(23-4)18(12-17)14(2)3/h6-12,14,20H,5,13H2,1-4H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide?
N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53285290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).