N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide

C18H21NO5S — CID 110673839

IUPACN-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-13(20)15-5-7-16(8-6-15)19-25(21,22)11-10-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyRKUCUJVFHPDJEL-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.89
Rot. Bonds8

About N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide

N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide (PubChem CID 110673839) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
PubChem CID110673839
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC NameN-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1OC
InChIInChI=1S/C18H21NO5S/c1-13(20)15-5-7-16(8-6-15)19-25(21,22)11-10-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11H2,1-3H3
InChIKeyRKUCUJVFHPDJEL-UHFFFAOYSA-N
XLogP2.89
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423627
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
N-[4-[2-(3,4-dimethoxyphenyl)ethylamino]phenyl]ethanesulfonamide
CID 112984101
N-[(3,4-dimethoxyphenyl)methyl]-4-(ethylsulfonylamino)-N-methylbenzamide
CID 92679282
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673847
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
CID 110673859
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate
CID 55357203
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
N-(4-acetylphenyl)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24589003

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide (CID 110673839) is N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1OC.
What is the InChIKey of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The InChIKey is RKUCUJVFHPDJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13(20)15-5-7-16(8-6-15)19-25(21,22)11-10-14-4-9-17(23-2)18(12-14)24-3/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide has a molecular weight of 363.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110673839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).