[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate

C16H15N3O5S — CID 55537612

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C16H15N3O5S/c1-17-16(23)19-13(20)9-24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,20,23)
InChIKeyQPNMPHPUCJWSNF-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.61
Rot. Bonds5

About [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate

[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate (PubChem CID 55537612) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
PubChem CID55537612
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
SMILESCNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1
InChIInChI=1S/C16H15N3O5S/c1-17-16(23)19-13(20)9-24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,20,23)
InChIKeyQPNMPHPUCJWSNF-UHFFFAOYSA-N
XLogP1.61
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 2-iodobenzoate
CID 2509553
ethyl 2-[[2-[4-(thiophene-2-carbonylamino)benzoyl]oxyacetyl]amino]benzoate
CID 43029129
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-methylbenzoate
CID 18074659
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 2503502
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 43023216
[2-(2-acetylanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 30817856
[2-(methylcarbamoylamino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
CID 8018132
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538727
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 2-benzamidobenzoate
CID 7835723
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55538058
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-hydroxy-3-methylbenzoate
CID 7416045
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 1-methylindole-3-carboxylate
CID 33457652

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate (CID 55537612) is [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate is CNC(=O)NC(=O)COC(=O)c1ccccc1NC(=O)c1cccs1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is QPNMPHPUCJWSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-17-16(23)19-13(20)9-24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-8H,9H2,1H3,(H,18,21)(H2,17,19,20,23).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate?
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 361.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 55537612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).