[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

C15H14ClNO3S — CID 2437339

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyVXNAXQIRLVKSNY-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.80
Rot. Bonds6

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (PubChem CID 2437339) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
PubChem CID2437339
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate
SMILESO=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18)
InChIKeyVXNAXQIRLVKSNY-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate (CID 2437339) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is O=C(COC(=O)Cc1ccsc1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
The InChIKey is VXNAXQIRLVKSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-3-1-11(2-4-13)8-17-14(18)9-20-15(19)7-12-5-6-21-10-12/h1-6,10H,7-9H2,(H,17,18).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate has a molecular weight of 323.80 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-thiophen-3-ylacetate is sourced from PubChem (CID 2437339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).