[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

C16H17N3O5S — CID 24980743

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17N3O5S/c1-10-9-25-16(23)19(10)7-6-14(21)24-8-13(20)18-12-4-2-11(3-5-12)15(17)22/h2-5,9H,6-8H2,1H3,(H2,17,22)(H,18,20)
InChIKeyDJPDXSQMHNXAKV-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.89
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 24980743) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID24980743
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C16H17N3O5S/c1-10-9-25-16(23)19(10)7-6-14(21)24-8-13(20)18-12-4-2-11(3-5-12)15(17)22/h2-5,9H,6-8H2,1H3,(H2,17,22)(H,18,20)
InChIKeyDJPDXSQMHNXAKV-UHFFFAOYSA-N
XLogP0.89
TPSA120.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(4-{[(3-isopropoxypropyl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
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4-dimethylamino-N-[6-(2-mercaptoacetylamino)hexyl]benzamide
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Allyl 2-(5-((4-acetylphenylamino)methyl)-3-ethyl-4-oxothiazolidin-2-ylidene)-2-cyanoacetate
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4-acetamido-N-(2-methoxyethyl)benzamide
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ethyl N-[4-(butyrylamino)benzoyl]glycinate
CID 2201382
[2-[4-(Dimethylcarbamoyl)anilino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
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4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 24980743) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is DJPDXSQMHNXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c1-10-9-25-16(23)19(10)7-6-14(21)24-8-13(20)18-12-4-2-11(3-5-12)15(17)22/h2-5,9H,6-8H2,1H3,(H2,17,22)(H,18,20).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 363.40 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 24980743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).