N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide

C18H23NO4S — CID 110788857

IUPACN-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H23NO4S/c1-4-23-18-10-5-15(13-14(18)2)11-12-19-24(20,21)17-8-6-16(22-3)7-9-17/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyVLLPFAXXANQZRD-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.92
Rot. Bonds8

About N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide

N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 110788857) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID110788857
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC NameN-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1C
InChIInChI=1S/C18H23NO4S/c1-4-23-18-10-5-15(13-14(18)2)11-12-19-24(20,21)17-8-6-16(22-3)7-9-17/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyVLLPFAXXANQZRD-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
4-ethoxy-N-[(4-ethoxy-3-methylphenyl)methyl]benzenesulfonamide
CID 110781958
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-4-(2-methylbutan-2-yl)benzenesulfonamide
CID 3699992
N-[2-[4-(cyclohexylsulfamoyl)phenyl]ethyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 30126245
N-[(4-ethoxy-3-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 110782021
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide (CID 110788857) is N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide is CCOc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1C.
What is the InChIKey of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is VLLPFAXXANQZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-4-23-18-10-5-15(13-14(18)2)11-12-19-24(20,21)17-8-6-16(22-3)7-9-17/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide?
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110788857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).