(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate

C17H17NO4S — CID 7651394

IUPAC(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H17NO4S/c1-3-13-11(2)9-14(23-13)17(21)22-10-15(19)18-16(20)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyHQJSTMZNLRYMKG-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.73
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate

(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate (PubChem CID 7651394) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate
PubChem CID7651394
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate
SMILESCCc1sc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1C
InChIInChI=1S/C17H17NO4S/c1-3-13-11(2)9-14(23-13)17(21)22-10-15(19)18-16(20)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,19,20)
InChIKeyHQJSTMZNLRYMKG-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzamido-2-oxoethyl) (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7792206
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651463
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-[[2-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 55523771
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 46608033
[2-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7972763
(2-benzamido-2-oxoethyl) 2-hydroxy-3-methylbenzoate
CID 7416144
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 18156739
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate
CID 7651285
(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate
CID 7849505
(2-benzamido-2-oxoethyl) 3-methyl-4-nitrobenzoate
CID 8629913
(2-benzamido-2-oxoethyl) (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849819

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate (CID 7651394) is (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate is CCc1sc(C(=O)OCC(=O)NC(=O)c2ccccc2)cc1C.
What is the InChIKey of (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate?
The InChIKey is HQJSTMZNLRYMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-3-13-11(2)9-14(23-13)17(21)22-10-15(19)18-16(20)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,19,20).
What are the key properties of (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate?
(2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate has a molecular weight of 331.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 5-ethyl-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 7651394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).