[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

C18H18N2O6S — CID 2620779

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H18N2O6S/c1-2-14(21)11-3-5-12(6-4-11)25-10-16(23)26-9-15(22)20-18-13(17(19)24)7-8-27-18/h3-8H,2,9-10H2,1H3,(H2,19,24)(H,20,22)
InChIKeyYFTFCRNLTQLOAH-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.00
Rot. Bonds9

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (PubChem CID 2620779) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
PubChem CID2620779
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
SMILESCCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1
InChIInChI=1S/C18H18N2O6S/c1-2-14(21)11-3-5-12(6-4-11)25-10-16(23)26-9-15(22)20-18-13(17(19)24)7-8-27-18/h3-8H,2,9-10H2,1H3,(H2,19,24)(H,20,22)
InChIKeyYFTFCRNLTQLOAH-UHFFFAOYSA-N
XLogP2.00
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate with MolForge

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Related Compounds

5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 2476663
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-phenoxypropanoate
CID 2603958
[2-[(3-Carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-methylphenoxy)propanoate
CID 4786402
methyl 2-{[(4-propylphenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 1743511
5-{[5-Ethyl-3-(4-methoxybenzoyl)-2-thienyl]amino}-3,3-dimethyl-5-oxopentanoic acid
CID 2814703
4-[[5-Ethyl-3-(4-methoxybenzoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 2814701
Methyl 2-(2-furoylamino)-4-phenyl-3-thiophenecarboxylate
CID 703868
Ethyl 5-ethyl-2-{[(2-methylphenoxy)acetyl]amino}-3-thiophenecarboxylate
CID 776596
4-Ethyl-2-{[3-(4-methoxyphenyl)propanoyl]amino}-5-methyl-3-thiophenecarboxamide
CID 903679
Methyl 3-({[4-(methoxycarbonyl)phenoxy]acetyl}amino)-2-thiophenecarboxylate
CID 972269

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate (CID 2620779) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate is CCC(=O)c1ccc(OCC(=O)OCC(=O)Nc2sccc2C(N)=O)cc1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
The InChIKey is YFTFCRNLTQLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-2-14(21)11-3-5-12(6-4-11)25-10-16(23)26-9-15(22)20-18-13(17(19)24)7-8-27-18/h3-8H,2,9-10H2,1H3,(H2,19,24)(H,20,22).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(4-propanoylphenoxy)acetate has a molecular weight of 390.42 g/mol, XLogP of 2.00, 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] 2-(4-propanoylphenoxy)acetate is sourced from PubChem (CID 2620779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).