ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide

C20H27NO5S — CID 142167214

IUPACethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide
SMILESCC.COc1cccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)c1
InChIInChI=1S/C18H21NO5S.C2H6/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)12-25(22,23)13-18(21)19-9-10-20;1-2/h2-8,11,20H,9-10,12-13H2,1H3,(H,19,21);1-2H3
InChIKeyZTNIAQCASNARNF-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.41
Rot. Bonds8

About ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide

ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide (PubChem CID 142167214) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide.

Molecular Properties

Compound Nameethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide
PubChem CID142167214
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC Nameethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide
SMILESCC.COc1cccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)c1
InChIInChI=1S/C18H21NO5S.C2H6/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)12-25(22,23)13-18(21)19-9-10-20;1-2/h2-8,11,20H,9-10,12-13H2,1H3,(H,19,21);1-2H3
InChIKeyZTNIAQCASNARNF-UHFFFAOYSA-N
XLogP2.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 10178679
2-[[4-(3,5-difluorophenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 142167238
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-methoxyphenyl)phenyl]ethanol
CID 2759703
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966
N-[3-[bis(2-methylpropyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 46255303
N-[3-[butyl(ethyl)amino]propyl]-2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]acetamide
CID 3240512
2-[(4-chlorophenyl)methylsulfonyl]-N-(2-methoxyethyl)acetamide
CID 17225063
2-amino-3-[4-(3-methoxyphenyl)phenyl]propanoic acid
CID 12968475
3-methoxy-N-[2-[[4-(3-methoxyphenyl)benzoyl]amino]ethyl]benzamide
CID 134802561
2-[(3-methoxyphenyl)methylsulfonyl]-N-(2-methylphenyl)acetamide
CID 86989533

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide?
The IUPAC name of ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide (CID 142167214) is ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide.
What is the SMILES notation for ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide?
The canonical SMILES for ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide is CC.COc1cccc(-c2ccc(CS(=O)(=O)CC(=O)NCCO)cc2)c1.
What is the InChIKey of ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide?
The InChIKey is ZTNIAQCASNARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S.C2H6/c1-24-17-4-2-3-16(11-17)15-7-5-14(6-8-15)12-25(22,23)13-18(21)19-9-10-20;1-2/h2-8,11,20H,9-10,12-13H2,1H3,(H,19,21);1-2H3.
What are the key properties of ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide?
ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-hydroxyethyl)-2-[[4-(3-methoxyphenyl)phenyl]methylsulfonyl]acetamide is sourced from PubChem (CID 142167214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).