ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate

C15H14ClNO3S — CID 72734768

IUPACethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-15(19)13(11-8-9-12(16)21-11)17-14(18)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeyKQCPDXKPXVHFRF-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate

ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate (PubChem CID 72734768) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
PubChem CID72734768
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Nameethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-15(19)13(11-8-9-12(16)21-11)17-14(18)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeyKQCPDXKPXVHFRF-UHFFFAOYSA-N
XLogP3.44
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
ethyl 2-(5-chlorothiophen-2-yl)-2-sulfanylacetate
CID 170987502
ethyl 2-benzamido-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetate
CID 135314125
ethyl (2S,3R)-3-benzamido-2-methylbutanoate
CID 162414540
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094
ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
ethyl 2-benzamido-4-methylpentanoate
CID 12773376
diethyl 3,4-diacetyl-2,5-dibenzamidohex-3-enedioate
CID 138392491
ethyl 2-benzamido-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]acetate
CID 56725807
ethyl 2-benzamido-2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetate
CID 10479731
N-(1-chloro-2-oxobutyl)benzamide
CID 13139265

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate?
The IUPAC name of ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate (CID 72734768) is ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate.
What is the SMILES notation for ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate?
The canonical SMILES for ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate?
The InChIKey is KQCPDXKPXVHFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-20-15(19)13(11-8-9-12(16)21-11)17-14(18)10-6-4-3-5-7-10/h3-9,13H,2H2,1H3,(H,17,18).
What are the key properties of ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate?
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate has a molecular weight of 323.80 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate is sourced from PubChem (CID 72734768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).