N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

C17H19NO4S — CID 110423627

IUPACN-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(19)15-6-8-16(9-7-15)18-23(20,21)11-10-14-4-3-5-17(12-14)22-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyQTFFUBOYTDKUMT-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.88
Rot. Bonds7

About N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide

N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (PubChem CID 110423627) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
PubChem CID110423627
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)c1
InChIInChI=1S/C17H19NO4S/c1-13(19)15-6-8-16(9-7-15)18-23(20,21)11-10-14-4-3-5-17(12-14)22-2/h3-9,12,18H,10-11H2,1-2H3
InChIKeyQTFFUBOYTDKUMT-UHFFFAOYSA-N
XLogP2.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
N-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110423119
3-methoxy-N-[4-(propylsulfonylamino)phenyl]benzamide
CID 47078326
N-(4-acetylphenyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964399
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
N-(2-bromo-4-methylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide
CID 110426046
2-(3-methoxyphenyl)-N-prop-2-enylethanesulfonamide
CID 110406486
2-hydroxy-N-(3-methoxyphenyl)ethanesulfonamide
CID 79026619
4-(ethylsulfonylamino)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 100785370
(Z)-N-(4-acetylphenyl)-2-cyano-3-[2-(3-methoxyphenyl)ethylamino]prop-2-enamide
CID 108856562
N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110409723
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110626462

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide (CID 110423627) is N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide is COc1cccc(CCS(=O)(=O)Nc2ccc(C(C)=O)cc2)c1.
What is the InChIKey of N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
The InChIKey is QTFFUBOYTDKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13(19)15-6-8-16(9-7-15)18-23(20,21)11-10-14-4-3-5-17(12-14)22-2/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide?
N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110423627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).