[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate

C16H15N3O5S — CID 55538727

IUPAC[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C16H15N3O5S/c1-9(13(20)19-16(17)23)24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-9H,1H3,(H,18,21)(H3,17,19,20,23)
InChIKeyQQOAXBSSEJUJGO-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.74
Rot. Bonds5

About [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate (PubChem CID 55538727) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate.

Molecular Properties

Compound Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
PubChem CID55538727
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate
SMILESCC(OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C16H15N3O5S/c1-9(13(20)19-16(17)23)24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-9H,1H3,(H,18,21)(H3,17,19,20,23)
InChIKeyQQOAXBSSEJUJGO-UHFFFAOYSA-N
XLogP1.74
TPSA127.59 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 ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 55547339
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(thiophene-2-carbonylamino)benzoate
CID 55537612
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 27965444
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[2-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25497398
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
N-[2-[[[(2S)-2-(2-fluorophenoxy)propanoyl]amino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 25490349
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 16524144
N-(3-carbamoyl-2-phenylphenyl)thiophene-2-carboxamide
CID 174504895

Frequently Asked Questions

What is the IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate?
The IUPAC name of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate (CID 55538727) is [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate.
What is the SMILES notation for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate?
The canonical SMILES for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate is CC(OC(=O)c1ccccc1NC(=O)c1cccs1)C(=O)NC(N)=O.
What is the InChIKey of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate?
The InChIKey is QQOAXBSSEJUJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-9(13(20)19-16(17)23)24-15(22)10-5-2-3-6-11(10)18-14(21)12-7-4-8-25-12/h2-9H,1H3,(H,18,21)(H3,17,19,20,23).
What are the key properties of [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate?
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate has a molecular weight of 361.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(carbamoylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)benzoate is sourced from PubChem (CID 55538727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).