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

C17H21NO4S — CID 12032651

IUPACN-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)OC)cc1
InChIInChI=1S/C17H21NO4S/c1-13-4-10-16(11-5-13)23(19,20)18-12-17(22-3)14-6-8-15(21-2)9-7-14/h4-11,17-18H,12H2,1-3H3
InChIKeyIANZVZOVBOBBSB-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds7

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

N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 12032651) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
PubChem CID12032651
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)OC)cc1
InChIInChI=1S/C17H21NO4S/c1-13-4-10-16(11-5-13)23(19,20)18-12-17(22-3)14-6-8-15(21-2)9-7-14/h4-11,17-18H,12H2,1-3H3
InChIKeyIANZVZOVBOBBSB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 12032646
N-[(2S)-2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 166440574
N-[3-ethoxy-3-(4-methoxyphenyl)propyl]-4-methylbenzenesulfonamide
CID 102320005
N-[2-(4-chlorophenyl)-2-[(E)-(4-methoxyphenyl)methylideneamino]oxyethyl]-4-methylbenzenesulfonamide
CID 154718750
N-[2-(furan-2-yl)-2-methoxyethyl]-4-methoxybenzenesulfonamide
CID 121145607
N-[2-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylbenzenesulfonamide
CID 101386257
4-methoxy-N-[(2S)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]benzenesulfonamide
CID 7384805
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-[(3R)-3-(4-methoxyphenyl)-3-prop-2-enoxypropyl]-4-methylbenzenesulfonamide
CID 102381092
N-[2-methoxy-2-(2-methylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 90598840
N-[1,2-bis(4-methoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 101196699

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide (CID 12032651) is N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)OC)cc1.
What is the InChIKey of N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is IANZVZOVBOBBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-4-10-16(11-5-13)23(19,20)18-12-17(22-3)14-6-8-15(21-2)9-7-14/h4-11,17-18H,12H2,1-3H3.
What are the key properties of N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide?
N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 12032651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).