methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate

C16H17NO3S — CID 1245479

IUPACmethyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1
InChIInChI=1S/C16H17NO3S/c1-3-4-14-9-12(10-21-14)15(18)17-13-7-5-11(6-8-13)16(19)20-2/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyZGSYOVDODJAAAF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.74
Rot. Bonds5

About methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate

methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate (PubChem CID 1245479) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate
PubChem CID1245479
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Namemethyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate
SMILESCCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1
InChIInChI=1S/C16H17NO3S/c1-3-4-14-9-12(10-21-14)15(18)17-13-7-5-11(6-8-13)16(19)20-2/h5-10H,3-4H2,1-2H3,(H,17,18)
InChIKeyZGSYOVDODJAAAF-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate (CID 1245479) is methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate is CCCc1cc(C(=O)Nc2ccc(C(=O)OC)cc2)cs1.
What is the InChIKey of methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate?
The InChIKey is ZGSYOVDODJAAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-3-4-14-9-12(10-21-14)15(18)17-13-7-5-11(6-8-13)16(19)20-2/h5-10H,3-4H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate?
methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate has a molecular weight of 303.38 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-propylthiophene-3-carbonyl)amino]benzoate is sourced from PubChem (CID 1245479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).