methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O3S — CID 24819112

IUPACmethyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H16N2O3S/c1-9-6-10(2)8-11(7-9)16-15(19)17-12-4-5-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyNUOZUBLWKRUKTI-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.80
Rot. Bonds3

About methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24819112) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24819112
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C15H16N2O3S/c1-9-6-10(2)8-11(7-9)16-15(19)17-12-4-5-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19)
InChIKeyNUOZUBLWKRUKTI-UHFFFAOYSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24819112) is methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is NUOZUBLWKRUKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-9-6-10(2)8-11(7-9)16-15(19)17-12-4-5-21-13(12)14(18)20-3/h4-8H,1-3H3,(H2,16,17,19).
What are the key properties of methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24819112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).