N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide

C16H19NO6S3 — CID 55450165

IUPACN-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H19NO6S3/c1-25(19,20)14-6-3-12(4-7-14)23-11-15(18)16-8-5-13(24-16)9-10-17-26(2,21)22/h3-8,17H,9-11H2,1-2H3
InChIKeyNGWMPOTYUVMJAZ-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.50
Rot. Bonds9

About N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide

N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide (PubChem CID 55450165) has the molecular formula C16H19NO6S3 and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
PubChem CID55450165
Molecular FormulaC16H19NO6S3
Molecular Weight417.53 g/mol
Exact Mass417.04
IUPAC NameN-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)s1
InChIInChI=1S/C16H19NO6S3/c1-25(19,20)14-6-3-12(4-7-14)23-11-15(18)16-8-5-13(24-16)9-10-17-26(2,21)22/h3-8,17H,9-11H2,1-2H3
InChIKeyNGWMPOTYUVMJAZ-UHFFFAOYSA-N
XLogP1.50
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
N-[2-[5-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55449027
N-[2-[5-[2-(3-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]acetamide
CID 55733106
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55448822
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55448516
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
CID 75386503
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate
CID 26967786
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55485219
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934875
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 4-methyl-3-nitrobenzoate
CID 27353986

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide (CID 55450165) is N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCCc1ccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)s1.
What is the InChIKey of N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
The InChIKey is NGWMPOTYUVMJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO6S3/c1-25(19,20)14-6-3-12(4-7-14)23-11-15(18)16-8-5-13(24-16)9-10-17-26(2,21)22/h3-8,17H,9-11H2,1-2H3.
What are the key properties of N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide?
N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 1.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 55450165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).