methyl 2-(thiophen-2-ylcarbamoylamino)benzoate

C13H12N2O3S — CID 3235857

IUPACmethyl 2-(thiophen-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccs1
InChIInChI=1S/C13H12N2O3S/c1-18-12(16)9-5-2-3-6-10(9)14-13(17)15-11-7-4-8-19-11/h2-8H,1H3,(H2,14,15,17)
InChIKeyGASCYZSPDFKMTM-UHFFFAOYSA-N
MW276.32 g/mol
LogP3.18
Rot. Bonds3

About methyl 2-(thiophen-2-ylcarbamoylamino)benzoate

methyl 2-(thiophen-2-ylcarbamoylamino)benzoate (PubChem CID 3235857) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is methyl 2-(thiophen-2-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(thiophen-2-ylcarbamoylamino)benzoate
PubChem CID3235857
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(thiophen-2-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Nc1cccs1
InChIInChI=1S/C13H12N2O3S/c1-18-12(16)9-5-2-3-6-10(9)14-13(17)15-11-7-4-8-19-11/h2-8H,1H3,(H2,14,15,17)
InChIKeyGASCYZSPDFKMTM-UHFFFAOYSA-N
XLogP3.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-[[2-methyl-3-(2-oxo-2-thiophen-2-ylethyl)benzoyl]amino]benzoate
CID 158047628
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
methyl 2-[(4-acetylphenyl)carbamoylamino]benzoate
CID 108992262
methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
CID 87422659
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
methyl 2-[(2,5-dichlorophenyl)carbamoylamino]benzoate
CID 12761941
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
methyl 2-[(4-methylpiperazin-1-yl)carbamoylamino]benzoate
CID 971531
methyl 2-[(3,4-difluorophenyl)carbamoylamino]benzoate
CID 108992340

Frequently Asked Questions

What is the IUPAC name of methyl 2-(thiophen-2-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 2-(thiophen-2-ylcarbamoylamino)benzoate (CID 3235857) is methyl 2-(thiophen-2-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 2-(thiophen-2-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 2-(thiophen-2-ylcarbamoylamino)benzoate is COC(=O)c1ccccc1NC(=O)Nc1cccs1.
What is the InChIKey of methyl 2-(thiophen-2-ylcarbamoylamino)benzoate?
The InChIKey is GASCYZSPDFKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-12(16)9-5-2-3-6-10(9)14-13(17)15-11-7-4-8-19-11/h2-8H,1H3,(H2,14,15,17).
What are the key properties of methyl 2-(thiophen-2-ylcarbamoylamino)benzoate?
methyl 2-(thiophen-2-ylcarbamoylamino)benzoate has a molecular weight of 276.32 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(thiophen-2-ylcarbamoylamino)benzoate is sourced from PubChem (CID 3235857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).