[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate

C16H16N2O4S — CID 2572053

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-3-5-11(10(9)2)16(21)22-8-13(19)18-15-12(14(17)20)6-7-23-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyXSKNUVKLDFYMNJ-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.26
Rot. Bonds5

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate (PubChem CID 2572053) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
PubChem CID2572053
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate
SMILESCc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C
InChIInChI=1S/C16H16N2O4S/c1-9-4-3-5-11(10(9)2)16(21)22-8-13(19)18-15-12(14(17)20)6-7-23-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyXSKNUVKLDFYMNJ-UHFFFAOYSA-N
XLogP2.26
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate (CID 2572053) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate is Cc1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
The InChIKey is XSKNUVKLDFYMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-9-4-3-5-11(10(9)2)16(21)22-8-13(19)18-15-12(14(17)20)6-7-23-15/h3-7H,8H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate has a molecular weight of 332.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,3-dimethylbenzoate is sourced from PubChem (CID 2572053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).