[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

C18H20N2O6S — CID 2561770

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1OCC
InChIInChI=1S/C18H20N2O6S/c1-3-24-13-6-5-11(9-14(13)25-4-2)18(23)26-10-15(21)20-17-12(16(19)22)7-8-27-17/h5-9H,3-4,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyBRQFCNDKZMYZGB-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.44
Rot. Bonds9

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (PubChem CID 2561770) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
PubChem CID2561770
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate
SMILESCCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1OCC
InChIInChI=1S/C18H20N2O6S/c1-3-24-13-6-5-11(9-14(13)25-4-2)18(23)26-10-15(21)20-17-12(16(19)22)7-8-27-17/h5-9H,3-4,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyBRQFCNDKZMYZGB-UHFFFAOYSA-N
XLogP2.44
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521866
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3,4-diethoxybenzoate
CID 46924909
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985455
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 46620234
[2-(2,6-dichloroanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 7381928
[2-(3,4-diethoxyanilino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 30028812
2-[[2-(4-acetylphenoxy)acetyl]amino]thiophene-3-carboxamide
CID 2126171
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(4-ethoxyanilino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate
CID 7558714
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 2608578
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561915

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate (CID 2561770) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is CCOc1ccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)cc1OCC.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
The InChIKey is BRQFCNDKZMYZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-24-13-6-5-11(9-14(13)25-4-2)18(23)26-10-15(21)20-17-12(16(19)22)7-8-27-17/h5-9H,3-4,10H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate has a molecular weight of 392.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3,4-diethoxybenzoate is sourced from PubChem (CID 2561770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).