4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

C17H21NO3S2 — CID 43874224

IUPAC4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H21NO3S2/c1-12-11-16(9-10-17(12)21-3)23(19,20)18-13(2)14-5-7-15(22-4)8-6-14/h5-11,13,18H,1-4H3
InChIKeyZKESEILMRFWBNR-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.77
Rot. Bonds6

About 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (PubChem CID 43874224) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
PubChem CID43874224
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC Name4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc(SC)cc2)cc1C
InChIInChI=1S/C17H21NO3S2/c1-12-11-16(9-10-17(12)21-3)23(19,20)18-13(2)14-5-7-15(22-4)8-6-14/h5-11,13,18H,1-4H3
InChIKeyZKESEILMRFWBNR-UHFFFAOYSA-N
XLogP3.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
CID 28558016
N-[1-(3-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 43874223
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28565515
4-methoxy-3-[(4-methylsulfanylphenyl)sulfonylamino]-N-propan-2-ylbenzenesulfonamide
CID 92678167
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
4-methoxy-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769242
3-bromo-4-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165455
4-methoxy-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]-3-methylbenzenesulfonamide
CID 100769240
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 55681681
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide (CID 43874224) is 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccc(SC)cc2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
The InChIKey is ZKESEILMRFWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-12-11-16(9-10-17(12)21-3)23(19,20)18-13(2)14-5-7-15(22-4)8-6-14/h5-11,13,18H,1-4H3.
What are the key properties of 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide has a molecular weight of 351.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 43874224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).