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

C17H21NO4S — CID 848320

IUPAC4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H21NO4S/c1-13-12-16(8-9-17(13)22-3)23(19,20)18-11-10-14-4-6-15(21-2)7-5-14/h4-9,12,18H,10-11H2,1-3H3
InChIKeyLESIEWQQCWYDCY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.53
Rot. Bonds7

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

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide (PubChem CID 848320) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
PubChem CID848320
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1
InChIInChI=1S/C17H21NO4S/c1-13-12-16(8-9-17(13)22-3)23(19,20)18-11-10-14-4-6-15(21-2)7-5-14/h4-9,12,18H,10-11H2,1-3H3
InChIKeyLESIEWQQCWYDCY-UHFFFAOYSA-N
XLogP2.53
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
N-[2-(4-ethoxy-3-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 110788857
4-methoxy-3-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzenesulfonamide
CID 30126227
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 112998742
4-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 19844131
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
N-[(4-methoxyphenyl)methyl]-3-methyl-4-propoxybenzenesulfonamide
CID 91669706
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide (CID 848320) is 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(OC)c(C)c2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
The InChIKey is LESIEWQQCWYDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-12-16(8-9-17(13)22-3)23(19,20)18-11-10-14-4-6-15(21-2)7-5-14/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide?
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 848320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).