N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide

C11H18N2O3S — CID 63245632

IUPACN-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-16-8-9-17(14,15)13(2)11-6-4-10(12)5-7-11/h4-7H,3,8-9,12H2,1-2H3
InChIKeyOYMHKDBCWMAGGP-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.07
Rot. Bonds6

About N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide

N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide (PubChem CID 63245632) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
PubChem CID63245632
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
SMILESCCOCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C11H18N2O3S/c1-3-16-8-9-17(14,15)13(2)11-6-4-10(12)5-7-11/h4-7H,3,8-9,12H2,1-2H3
InChIKeyOYMHKDBCWMAGGP-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-N-methylpropane-1-sulfonamide
CID 28894568
4-(2-ethoxyethylsulfonyl)aniline
CID 61368221
4-N-(3-ethoxypropyl)-4-N-methylbenzene-1,4-diamine
CID 65175697
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
N-(3-aminopropyl)-2-ethoxy-N-(4-methylphenyl)ethanesulfonamide
CID 63245939
4-(2-ethoxyethylsulfonyl)-3-methylaniline
CID 81192495
N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
CID 86816575
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 55175048
N-[[3-(aminomethyl)phenyl]methyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175265
2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
CID 90518837
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide?
The IUPAC name of N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide (CID 63245632) is N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide is CCOCCS(=O)(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide?
The InChIKey is OYMHKDBCWMAGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-8-9-17(14,15)13(2)11-6-4-10(12)5-7-11/h4-7H,3,8-9,12H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide?
N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide is sourced from PubChem (CID 63245632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).