methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate

C13H12ClNO4S — CID 106686047

IUPACmethyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccoc1Cl)c1cccs1
InChIInChI=1S/C13H12ClNO4S/c1-18-11(16)7-9(10-3-2-6-20-10)15-13(17)8-4-5-19-12(8)14/h2-6,9H,7H2,1H3,(H,15,17)
InChIKeyCNNCPMSYZODAMT-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.03
Rot. Bonds5

About methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate

methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate (PubChem CID 106686047) has the molecular formula C13H12ClNO4S and a molecular weight of 313.76 g/mol. Its IUPAC name is methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
PubChem CID106686047
Molecular FormulaC13H12ClNO4S
Molecular Weight313.76 g/mol
Exact Mass313.02
IUPAC Namemethyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
SMILESCOC(=O)CC(NC(=O)c1ccoc1Cl)c1cccs1
InChIInChI=1S/C13H12ClNO4S/c1-18-11(16)7-9(10-3-2-6-20-10)15-13(17)8-4-5-19-12(8)14/h2-6,9H,7H2,1H3,(H,15,17)
InChIKeyCNNCPMSYZODAMT-UHFFFAOYSA-N
XLogP3.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate with MolForge

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Related Compounds

methyl 3-[(4-chloropyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 81229017
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 66482550
methyl 3-[(2-bromobenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 42937932
methyl 3-[[2-chloro-5-(diethylsulfamoyl)benzoyl]amino]-3-thiophen-2-ylpropanoate
CID 46603309
methyl 3-[[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 42945684
methyl 3-[(5-bromofuran-2-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 46515294
methyl 3-[(3-chloro-2-methylpropanoyl)amino]-3-thiophen-2-ylpropanoate
CID 62728678
methyl 3-(2-bromopropanoylamino)-3-thiophen-2-ylpropanoate
CID 107903839
methyl (3S)-3-[(5-fluoro-1H-indole-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 97062524
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
methyl 3-[(4-ethoxybenzoyl)amino]-3-thiophen-2-ylpropanoate
CID 51112274
methyl 3-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-thiophen-2-ylpropanoate
CID 55514197

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The IUPAC name of methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate (CID 106686047) is methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate.
What is the SMILES notation for methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The canonical SMILES for methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate is COC(=O)CC(NC(=O)c1ccoc1Cl)c1cccs1.
What is the InChIKey of methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
The InChIKey is CNNCPMSYZODAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4S/c1-18-11(16)7-9(10-3-2-6-20-10)15-13(17)8-4-5-19-12(8)14/h2-6,9H,7H2,1H3,(H,15,17).
What are the key properties of methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate?
methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate has a molecular weight of 313.76 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chlorofuran-3-carbonyl)amino]-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 106686047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).