3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

C18H23NO4S — CID 133219535

IUPAC3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC(C)c2ccccc2OC)ccc1OC
InChIInChI=1S/C18H23NO4S/c1-5-14-12-15(10-11-17(14)22-3)24(20,21)19-13(2)16-8-6-7-9-18(16)23-4/h6-13,19H,5H2,1-4H3
InChIKeyNWVZHQBGYDCFSL-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.31
Rot. Bonds7

About 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide

3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 133219535) has the molecular formula C18H23NO4S and a molecular weight of 349.45 g/mol. Its IUPAC name is 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID133219535
Molecular FormulaC18H23NO4S
Molecular Weight349.45 g/mol
Exact Mass349.13
IUPAC Name3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCCc1cc(S(=O)(=O)NC(C)c2ccccc2OC)ccc1OC
InChIInChI=1S/C18H23NO4S/c1-5-14-12-15(10-11-17(14)22-3)24(20,21)19-13(2)16-8-6-7-9-18(16)23-4/h6-13,19H,5H2,1-4H3
InChIKeyNWVZHQBGYDCFSL-UHFFFAOYSA-N
XLogP3.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1S)-1-(2-methoxyphenyl)ethyl]naphthalene-2-sulfonamide
CID 2496333
3,4-dimethoxy-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 51169554
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 28560659
methyl 5-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]-2-methylbenzoate
CID 100763986
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]sulfamoyl]benzoate
CID 31760778
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,4-dioxo-1,5-dihydro-1,5-benzodiazepine-7-sulfonamide
CID 40798724
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
6-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 7510094

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 133219535) is 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is CCc1cc(S(=O)(=O)NC(C)c2ccccc2OC)ccc1OC.
What is the InChIKey of 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is NWVZHQBGYDCFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4S/c1-5-14-12-15(10-11-17(14)22-3)24(20,21)19-13(2)16-8-6-7-9-18(16)23-4/h6-13,19H,5H2,1-4H3.
What are the key properties of 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 349.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 133219535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).