methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate

C15H16N2O3S — CID 24818579

IUPACmethyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)16-15(19)17-12-8-9-21-13(12)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeyPISFGKBDZWQQFD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.74
Rot. Bonds4

About methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate

methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate (PubChem CID 24818579) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate
PubChem CID24818579
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate
SMILESCCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1
InChIInChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)16-15(19)17-12-8-9-21-13(12)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19)
InChIKeyPISFGKBDZWQQFD-UHFFFAOYSA-N
XLogP3.74
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate (CID 24818579) is methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate is CCc1ccc(NC(=O)Nc2ccsc2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate?
The InChIKey is PISFGKBDZWQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-10-4-6-11(7-5-10)16-15(19)17-12-8-9-21-13(12)14(18)20-2/h4-9H,3H2,1-2H3,(H2,16,17,19).
What are the key properties of methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate?
methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate has a molecular weight of 304.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylphenyl)carbamoylamino]thiophene-2-carboxylate is sourced from PubChem (CID 24818579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).