methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate

C17H16ClNO4S — CID 95275818

IUPACmethyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)[C@@H]1CCOC1
InChIInChI=1S/C17H16ClNO4S/c1-22-17(21)15-13(19-16(20)10-6-7-23-9-10)8-14(24-15)11-4-2-3-5-12(11)18/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyNPICWIJOQQAGEA-SNVBAGLBSA-N
MW365.84 g/mol
LogP3.83
Rot. Bonds4

About methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate

methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 95275818) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
PubChem CID95275818
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC Namemethyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)[C@@H]1CCOC1
InChIInChI=1S/C17H16ClNO4S/c1-22-17(21)15-13(19-16(20)10-6-7-23-9-10)8-14(24-15)11-4-2-3-5-12(11)18/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyNPICWIJOQQAGEA-SNVBAGLBSA-N
XLogP3.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate (CID 95275818) is methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sc(-c2ccccc2Cl)cc1NC(=O)[C@@H]1CCOC1.
What is the InChIKey of methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is NPICWIJOQQAGEA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-22-17(21)15-13(19-16(20)10-6-7-23-9-10)8-14(24-15)11-4-2-3-5-12(11)18/h2-5,8,10H,6-7,9H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate?
methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 365.84 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chlorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 95275818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).