methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate

C14H14N2O3S — CID 61376688

IUPACmethyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
SMILESCNc1ccccc1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C14H14N2O3S/c1-15-10-6-4-3-5-9(10)13(17)16-11-7-8-20-12(11)14(18)19-2/h3-8,15H,1-2H3,(H,16,17)
InChIKeyXDHQLBZBSWIQQC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.83
Rot. Bonds4

About methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate (PubChem CID 61376688) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
PubChem CID61376688
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
SMILESCNc1ccccc1C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C14H14N2O3S/c1-15-10-6-4-3-5-9(10)13(17)16-11-7-8-20-12(11)14(18)19-2/h3-8,15H,1-2H3,(H,16,17)
InChIKeyXDHQLBZBSWIQQC-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
CID 26704872
3-[(2-methoxybenzoyl)amino]thiophene-2-carboxylic acid
CID 16770599
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
2-[[2-(methylamino)benzoyl]amino]thiophene-3-carboxamide
CID 61377118
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
methyl 3-[[2-[2-(phenylcarbamoyl)phenoxy]acetyl]amino]thiophene-2-carboxylate
CID 41428666
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate (CID 61376688) is methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate is CNc1ccccc1C(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate?
The InChIKey is XDHQLBZBSWIQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-15-10-6-4-3-5-9(10)13(17)16-11-7-8-20-12(11)14(18)19-2/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 61376688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).