methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate

C14H14N2O3S — CID 6466938

IUPACmethyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-10(8-9)15-14(18)16-11-6-7-20-12(11)13(17)19-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyBOWOVJLISAEBCQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.49
Rot. Bonds3

About methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 6466938) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID6466938
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Namemethyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cccc(C)c1
InChIInChI=1S/C14H14N2O3S/c1-9-4-3-5-10(8-9)15-14(18)16-11-6-7-20-12(11)13(17)19-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyBOWOVJLISAEBCQ-UHFFFAOYSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 6466938) is methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cccc(C)c1.
What is the InChIKey of methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is BOWOVJLISAEBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-9-4-3-5-10(8-9)15-14(18)16-11-6-7-20-12(11)13(17)19-2/h3-8H,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 6466938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).