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

C14H14N2O4S — CID 17376004

IUPACmethyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C14H14N2O4S/c1-19-11-6-4-3-5-9(11)15-14(18)16-10-7-8-21-12(10)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyPJUPBOUTDLNOIR-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.19
Rot. Bonds4

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

methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 17376004) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID17376004
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Namemethyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1ccccc1OC
InChIInChI=1S/C14H14N2O4S/c1-19-11-6-4-3-5-9(11)15-14(18)16-10-7-8-21-12(10)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18)
InChIKeyPJUPBOUTDLNOIR-UHFFFAOYSA-N
XLogP3.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-{[(3,4-dimethoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 972050
Methyl 3-((((4-methoxyphenyl)amino)thioxomethyl)amino)thiophene-2-carboxylate
CID 3659340
Methyl 3-{[(4-fluoroanilino)carbonyl]amino}-2-thiophenecarboxylate
CID 11837143
Methyl 3-{[(2-methoxy-5-methylphenyl)carbamothioyl]amino}thiophene-2-carboxylate
CID 16193785
Methyl 3-[(2,5-dimethoxyphenyl)carbamoylamino]thiophene-2-carboxylate
CID 17284901
Methyl 3-{[(4-methoxyphenyl)carbamoyl]amino}thiophene-2-carboxylate
CID 24818490
Methyl 3-[(2-methoxy-5-methylphenyl)carbamoylamino]thiophene-2-carboxylate
CID 24818492
N-(2-methoxyphenyl)thiophene-2-carboxamide
CID 764595
Methyl 3-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116544
Methyl 3-[[2-(3-methoxyphenyl)sulfanylacetyl]amino]thiophene-2-carboxylate
CID 25116546
N-(2-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 1247619
Ethyl 5-(4-fluorophenyl)-3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate
CID 2103181

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate (CID 17376004) is methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1ccccc1OC.
What is the InChIKey of methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is PJUPBOUTDLNOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-19-11-6-4-3-5-9(11)15-14(18)16-10-7-8-21-12(10)13(17)20-2/h3-8H,1-2H3,(H2,15,16,18).
What are the key properties of methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 306.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxyphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 17376004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).