[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

C18H21NO5S2 — CID 17473978

IUPAC[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C18H21NO5S2/c1-5-15-11(2)10-16(25-15)18(21)24-12(3)17(20)13-6-8-14(9-7-13)19-26(4,22)23/h6-10,12,19H,5H2,1-4H3
InChIKeyIMCIQYVUYXIYHL-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.42
Rot. Bonds7

About [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 17473978) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID17473978
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C
InChIInChI=1S/C18H21NO5S2/c1-5-15-11(2)10-16(25-15)18(21)24-12(3)17(20)13-6-8-14(9-7-13)19-26(4,22)23/h6-10,12,19H,5H2,1-4H3
InChIKeyIMCIQYVUYXIYHL-UHFFFAOYSA-N
XLogP3.42
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972757
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-fluorobenzoate
CID 18171371
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 55393236
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-propoxybenzoate
CID 42915712
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-(methoxymethyl)benzoate
CID 8582611
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-chloropyridine-4-carboxylate
CID 46666462
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 46805687
[1-(cyclopentylamino)-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 18079452
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 39907902
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 31531619
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 55528394

Frequently Asked Questions

What is the IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate (CID 17473978) is [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OC(C)C(=O)c2ccc(NS(C)(=O)=O)cc2)cc1C.
What is the InChIKey of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is IMCIQYVUYXIYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c1-5-15-11(2)10-16(25-15)18(21)24-12(3)17(20)13-6-8-14(9-7-13)19-26(4,22)23/h6-10,12,19H,5H2,1-4H3.
What are the key properties of [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate?
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 17473978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).