N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide

C22H23NO3S — CID 42841654

IUPACN-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C(C)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-9-15-22(16-10-17)27(24,25)23(20-7-5-4-6-8-20)18(2)19-11-13-21(26-3)14-12-19/h4-16,18H,1-3H3
InChIKeyNOWMDUSYXGAOCE-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.96
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide

N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide (PubChem CID 42841654) has the molecular formula C22H23NO3S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
PubChem CID42841654
Molecular FormulaC22H23NO3S
Molecular Weight381.50 g/mol
Exact Mass381.14
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
SMILESCOc1ccc(C(C)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H23NO3S/c1-17-9-15-22(16-10-17)27(24,25)23(20-7-5-4-6-8-20)18(2)19-11-13-21(26-3)14-12-19/h4-16,18H,1-3H3
InChIKeyNOWMDUSYXGAOCE-UHFFFAOYSA-N
XLogP4.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-(4-methoxyphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207326
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)propanoic acid
CID 50891410
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
N-[1-(4-methylphenyl)ethyl]-3-nitro-N-phenylbenzenesulfonamide
CID 46152610
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide (CID 42841654) is N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide is COc1ccc(C(C)N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide?
The InChIKey is NOWMDUSYXGAOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3S/c1-17-9-15-22(16-10-17)27(24,25)23(20-7-5-4-6-8-20)18(2)19-11-13-21(26-3)14-12-19/h4-16,18H,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide?
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide has a molecular weight of 381.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 42841654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).