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

C23H25NO4S — CID 93179170

IUPAC4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)18(2)24(20-6-5-7-22(16-20)28-4)29(25,26)23-14-12-21(27-3)13-15-23/h5-16,18H,1-4H3/t18-/m0/s1
InChIKeyBJFKZCDXPHSESB-SFHVURJKSA-N
MW411.52 g/mol
LogP4.97
Rot. Bonds7

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

4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 93179170) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID93179170
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@@H](C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)18(2)24(20-6-5-7-22(16-20)28-4)29(25,26)23-14-12-21(27-3)13-15-23/h5-16,18H,1-4H3/t18-/m0/s1
InChIKeyBJFKZCDXPHSESB-SFHVURJKSA-N
XLogP4.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
N-[1-(4-methoxyphenyl)ethyl]-N-(3-methylphenyl)-3-nitrobenzenesulfonamide
CID 42841837

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 93179170) is 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)[C@@H](C)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is BJFKZCDXPHSESB-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-17-8-10-19(11-9-17)18(2)24(20-6-5-7-22(16-20)28-4)29(25,26)23-14-12-21(27-3)13-15-23/h5-16,18H,1-4H3/t18-/m0/s1.
What are the key properties of 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide?
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 93179170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).