N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide

C17H19NO5S2 — CID 55733106

IUPACN-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)s1
InChIInChI=1S/C17H19NO5S2/c1-12(19)18-9-8-14-6-7-17(24-14)16(20)11-23-13-4-3-5-15(10-13)25(2,21)22/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyQIHNANCVEJMGQZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.09
Rot. Bonds8

About N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide

N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide (PubChem CID 55733106) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
PubChem CID55733106
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC NameN-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
SMILESCC(=O)NCCc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)s1
InChIInChI=1S/C17H19NO5S2/c1-12(19)18-9-8-14-6-7-17(24-14)16(20)11-23-13-4-3-5-15(10-13)25(2,21)22/h3-7,10H,8-9,11H2,1-2H3,(H,18,19)
InChIKeyQIHNANCVEJMGQZ-UHFFFAOYSA-N
XLogP2.09
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 24526591
N-[[5-[2-[4-(benzenesulfonyl)phenoxy]acetyl]thiophen-2-yl]methyl]acetamide
CID 55764758
N-[2-[5-[2-(3-methoxyphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]acetamide
CID 39044798
1-(2,5-dichlorothiophen-3-yl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612904
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-methylbenzoate
CID 27312891
N-[[5-[2-(3,4-dichlorophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8509645
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 16572280
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 3,4-diethoxybenzoate
CID 27315281
1-(2-bromophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612917
1-(4-iodophenyl)-2-(3-methylsulfonylphenoxy)ethanone
CID 43612905
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 46645086

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide (CID 55733106) is N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide is CC(=O)NCCc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)s1.
What is the InChIKey of N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide?
The InChIKey is QIHNANCVEJMGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-12(19)18-9-8-14-6-7-17(24-14)16(20)11-23-13-4-3-5-15(10-13)25(2,21)22/h3-7,10H,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide?
N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide is sourced from PubChem (CID 55733106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).