[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

C16H17NO5S2 — CID 18145478

IUPAC[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)s1
InChIInChI=1S/C16H17NO5S2/c1-11-8-9-15(23-11)14(18)10-22-16(19)12-6-4-5-7-13(12)17(2)24(3,20)21/h4-9H,10H2,1-3H3
InChIKeyAUFCWHXUFLCAOC-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.49
Rot. Bonds6

About [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate

[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (PubChem CID 18145478) has the molecular formula C16H17NO5S2 and a molecular weight of 367.45 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
PubChem CID18145478
Molecular FormulaC16H17NO5S2
Molecular Weight367.45 g/mol
Exact Mass367.05
IUPAC Name[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
SMILESCc1ccc(C(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)s1
InChIInChI=1S/C16H17NO5S2/c1-11-8-9-15(23-11)14(18)10-22-16(19)12-6-4-5-7-13(12)17(2)24(3,20)21/h4-9H,10H2,1-3H3
InChIKeyAUFCWHXUFLCAOC-UHFFFAOYSA-N
XLogP2.49
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 18145462
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615642
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7516886
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-(methylsulfamoyl)benzoate
CID 18202847
phenanthridin-6-ylmethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 24615652
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 4-methoxy-3-[methoxy(methyl)sulfamoyl]benzoate
CID 8722413
2-(3-methyl-4-propan-2-ylphenoxy)ethyl 2-[methyl(methylsulfonyl)amino]benzoate
CID 18158355
ethyl 6-[[2-[methyl(methylsulfonyl)amino]benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24615653
(4-acetylphenyl) 2-[methyl(methylsulfonyl)amino]benzoate
CID 18152012
N-(2-benzoylphenyl)-N-methylmethanesulfonamide
CID 11130003
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-(2-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612233

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The IUPAC name of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate (CID 18145478) is [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is Cc1ccc(C(=O)COC(=O)c2ccccc2N(C)S(C)(=O)=O)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
The InChIKey is AUFCWHXUFLCAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S2/c1-11-8-9-15(23-11)14(18)10-22-16(19)12-6-4-5-7-13(12)17(2)24(3,20)21/h4-9H,10H2,1-3H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate?
[2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate has a molecular weight of 367.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-2-oxoethyl] 2-[methyl(methylsulfonyl)amino]benzoate is sourced from PubChem (CID 18145478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).