2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide

C19H23NO6S — CID 10178679

IUPAC2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)cc1OC
InChIInChI=1S/C19H23NO6S/c1-25-17-8-7-16(11-18(17)26-2)15-5-3-14(4-6-15)12-27(23,24)13-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyUFTWAWUCZLCDLE-UHFFFAOYSA-N
MW393.46 g/mol
LogP1.39
Rot. Bonds9

About 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide

2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 10178679) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
PubChem CID10178679
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
SMILESCOc1ccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)cc1OC
InChIInChI=1S/C19H23NO6S/c1-25-17-8-7-16(11-18(17)26-2)15-5-3-14(4-6-15)12-27(23,24)13-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22)
InChIKeyUFTWAWUCZLCDLE-UHFFFAOYSA-N
XLogP1.39
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
CID 10276555
ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
CID 142167262
2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 142167238
N-[(3,4-dimethoxyphenyl)methyl]-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 94048113
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
2-(3-chloro-4-methoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 96662357
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
2-[4-(3,4-dimethoxyphenyl)phenyl]acetyl chloride
CID 126703654
2-[(4-aminophenyl)methylsulfonyl]-N-propylacetamide
CID 82178541
2-benzylsulfonyl-N-propylacetamide
CID 47155800
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
methyl 4-(3,4-dimethoxyphenyl)benzoate
CID 14570120

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide (CID 10178679) is 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide is COc1ccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)cc1OC.
What is the InChIKey of 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is UFTWAWUCZLCDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-25-17-8-7-16(11-18(17)26-2)15-5-3-14(4-6-15)12-27(23,24)13-19(22)20-9-10-21/h3-8,11,21H,9-10,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide?
2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 393.46 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 10178679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).