N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide

C24H27NO5S — CID 46022645

IUPACN-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)C(C)c2cccc(C)c2)cc1
InChIInChI=1S/C24H27NO5S/c1-17-7-6-8-19(15-17)18(2)25(20-9-14-23(29-4)24(16-20)30-5)31(26,27)22-12-10-21(28-3)11-13-22/h6-16,18H,1-5H3
InChIKeyIQFFMSCASQHWFE-UHFFFAOYSA-N
MW441.55 g/mol
LogP4.98
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide

N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 46022645) has the molecular formula C24H27NO5S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
PubChem CID46022645
Molecular FormulaC24H27NO5S
Molecular Weight441.55 g/mol
Exact Mass441.16
IUPAC NameN-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)C(C)c2cccc(C)c2)cc1
InChIInChI=1S/C24H27NO5S/c1-17-7-6-8-19(15-17)18(2)25(20-9-14-23(29-4)24(16-20)30-5)31(26,27)22-12-10-21(28-3)11-13-22/h6-16,18H,1-5H3
InChIKeyIQFFMSCASQHWFE-UHFFFAOYSA-N
XLogP4.98
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207440
N-(3,4-dimethoxyphenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 93207373
N-[4-[(4-methoxyphenyl)-[(1R)-1-(3-methylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 93207362
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
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
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
N-[(1S)-1-(3-chlorophenyl)ethyl]-N-(3,4-dimethoxyphenyl)-4-nitrobenzenesulfonamide
CID 93207474
N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207449
N-(4-chlorophenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207234
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
3-chloro-4-fluoro-N-(3-methoxyphenyl)-N-[(1S)-1-(3-methylphenyl)ethyl]benzenesulfonamide
CID 93207592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide (CID 46022645) is N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2ccc(OC)c(OC)c2)C(C)c2cccc(C)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is IQFFMSCASQHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO5S/c1-17-7-6-8-19(15-17)18(2)25(20-9-14-23(29-4)24(16-20)30-5)31(26,27)22-12-10-21(28-3)11-13-22/h6-16,18H,1-5H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 441.55 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-4-methoxy-N-[1-(3-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46022645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).