methyl 2-acetamido-5-chlorothiophene-3-carboxylate

C8H8ClNO3S — CID 818981

IUPACmethyl 2-acetamido-5-chlorothiophene-3-carboxylate
SMILESCOC(=O)c1cc(Cl)sc1NC(C)=O
InChIInChI=1S/C8H8ClNO3S/c1-4(11)10-7-5(8(12)13-2)3-6(9)14-7/h3H,1-2H3,(H,10,11)
InChIKeyOYLPYFBEANZDIV-UHFFFAOYSA-N
MW233.68 g/mol
LogP2.15
Rot. Bonds2

About methyl 2-acetamido-5-chlorothiophene-3-carboxylate

methyl 2-acetamido-5-chlorothiophene-3-carboxylate (PubChem CID 818981) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is methyl 2-acetamido-5-chlorothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-acetamido-5-chlorothiophene-3-carboxylate
PubChem CID818981
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Namemethyl 2-acetamido-5-chlorothiophene-3-carboxylate
SMILESCOC(=O)c1cc(Cl)sc1NC(C)=O
InChIInChI=1S/C8H8ClNO3S/c1-4(11)10-7-5(8(12)13-2)3-6(9)14-7/h3H,1-2H3,(H,10,11)
InChIKeyOYLPYFBEANZDIV-UHFFFAOYSA-N
XLogP2.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]amino]-5-chlorothiophene-3-carboxylate
CID 156745107
methyl 2-acetamido-4-chloro-5-iodobenzoate
CID 10689426
5-acetamidothiophene-2,4-dicarboxylic acid
CID 90738459
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 5-chloro-3-fluorothiophene-2-carboxylate
CID 71425499
ethane;methyl 2-acetamido-4-chloro-5-methylbenzoate
CID 166531649
(5-chloro-2-methoxycarbonylthiophen-3-yl)boronic acid
CID 154881571
ethyl 2-acetamido-5-formylthiophene-3-carboxylate
CID 143287223
methyl 5-methyl-2-(1,3-thiazole-4-carbonylamino)thiophene-3-carboxylate
CID 84560174
methyl 2-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-5-methylthiophene-3-carboxylate
CID 19476964
methyl 4-amino-2-chloro-5-iodobenzoate
CID 11839203
methyl 5-bromo-2,4-dichlorobenzoate
CID 75360955

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-5-chlorothiophene-3-carboxylate?
The IUPAC name of methyl 2-acetamido-5-chlorothiophene-3-carboxylate (CID 818981) is methyl 2-acetamido-5-chlorothiophene-3-carboxylate.
What is the SMILES notation for methyl 2-acetamido-5-chlorothiophene-3-carboxylate?
The canonical SMILES for methyl 2-acetamido-5-chlorothiophene-3-carboxylate is COC(=O)c1cc(Cl)sc1NC(C)=O.
What is the InChIKey of methyl 2-acetamido-5-chlorothiophene-3-carboxylate?
The InChIKey is OYLPYFBEANZDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-4(11)10-7-5(8(12)13-2)3-6(9)14-7/h3H,1-2H3,(H,10,11).
What are the key properties of methyl 2-acetamido-5-chlorothiophene-3-carboxylate?
methyl 2-acetamido-5-chlorothiophene-3-carboxylate has a molecular weight of 233.68 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-5-chlorothiophene-3-carboxylate is sourced from PubChem (CID 818981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).