(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

C14H12ClNO3S — CID 755838

IUPAC(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c15-11-5-3-10(4-6-11)9-19-13(17)8-16-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,18)
InChIKeyUKYCVWDIPLLGQL-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.87
Rot. Bonds5

About (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate

(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 755838) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID755838
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c15-11-5-3-10(4-6-11)9-19-13(17)8-16-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,18)
InChIKeyUKYCVWDIPLLGQL-UHFFFAOYSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate (CID 755838) is (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is UKYCVWDIPLLGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-11-5-3-10(4-6-11)9-19-13(17)8-16-14(18)12-2-1-7-20-12/h1-7H,8-9H2,(H,16,18).
What are the key properties of (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate?
(4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 309.77 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 755838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).