ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide

C24H37NO5S — CID 142167262

IUPACethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
SMILESCC.CC.CCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C20H25NO5S.2C2H6/c1-4-21-20(22)14-27(23,24)13-15-6-8-16(9-7-15)17-10-11-18(25-3)19(12-17)26-5-2;2*1-2/h6-12H,4-5,13-14H2,1-3H3,(H,21,22);2*1-2H3
InChIKeyWKRDKRUNZUGBKH-UHFFFAOYSA-N
MW451.63 g/mol
LogP4.86
Rot. Bonds9

About ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide

ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide (PubChem CID 142167262) has the molecular formula C24H37NO5S and a molecular weight of 451.63 g/mol. Its IUPAC name is ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide.

Molecular Properties

Compound Nameethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
PubChem CID142167262
Molecular FormulaC24H37NO5S
Molecular Weight451.63 g/mol
Exact Mass451.24
IUPAC Nameethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide
SMILESCC.CC.CCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc(OC)c(OCC)c2)cc1
InChIInChI=1S/C20H25NO5S.2C2H6/c1-4-21-20(22)14-27(23,24)13-15-6-8-16(9-7-15)17-10-11-18(25-3)19(12-17)26-5-2;2*1-2/h6-12H,4-5,13-14H2,1-3H3,(H,21,22);2*1-2H3
InChIKeyWKRDKRUNZUGBKH-UHFFFAOYSA-N
XLogP4.86
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.63
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(3,4-dimethoxyphenyl)phenyl]methylsulfonyl]-N-(2-hydroxyethyl)acetamide
CID 10178679
3-(3-ethoxy-4-methoxyphenyl)-N-ethylpropanamide
CID 58655197
N-(2-hydroxyethyl)-2-[[4-[3-(1-hydroxyhexyl)-4-methoxyphenyl]phenyl]methylsulfonyl]acetamide
CID 10276555
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1,3-diethylguanidine
CID 111335902
2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 43398915
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
2-[(3-ethoxy-4-methoxyphenyl)methylamino]butanoic acid
CID 82364722
N-[(3,4-dimethoxyphenyl)methyl]-2-(naphthalen-1-ylmethylsulfonyl)acetamide
CID 94048113
1,2-bis(3-ethoxy-4-methoxyphenyl)ethane-1,2-dione
CID 126457801
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide?
The IUPAC name of ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide (CID 142167262) is ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide.
What is the SMILES notation for ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide?
The canonical SMILES for ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide is CC.CC.CCNC(=O)CS(=O)(=O)Cc1ccc(-c2ccc(OC)c(OCC)c2)cc1.
What is the InChIKey of ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide?
The InChIKey is WKRDKRUNZUGBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5S.2C2H6/c1-4-21-20(22)14-27(23,24)13-15-6-8-16(9-7-15)17-10-11-18(25-3)19(12-17)26-5-2;2*1-2/h6-12H,4-5,13-14H2,1-3H3,(H,21,22);2*1-2H3.
What are the key properties of ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide?
ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide has a molecular weight of 451.63 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[4-(3-ethoxy-4-methoxyphenyl)phenyl]methylsulfonyl]-N-ethylacetamide is sourced from PubChem (CID 142167262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).