methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate

C14H21NO3S — CID 60656066

IUPACmethyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
SMILESCCCc1sc(C(=O)NCCC(=O)OC)cc1CC
InChIInChI=1S/C14H21NO3S/c1-4-6-11-10(5-2)9-12(19-11)14(17)15-8-7-13(16)18-3/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyFDTRAUASAJWIHD-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.56
Rot. Bonds7

About methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate

methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate (PubChem CID 60656066) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
PubChem CID60656066
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namemethyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate
SMILESCCCc1sc(C(=O)NCCC(=O)OC)cc1CC
InChIInChI=1S/C14H21NO3S/c1-4-6-11-10(5-2)9-12(19-11)14(17)15-8-7-13(16)18-3/h9H,4-8H2,1-3H3,(H,15,17)
InChIKeyFDTRAUASAJWIHD-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate (CID 60656066) is methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate is CCCc1sc(C(=O)NCCC(=O)OC)cc1CC.
What is the InChIKey of methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate?
The InChIKey is FDTRAUASAJWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-6-11-10(5-2)9-12(19-11)14(17)15-8-7-13(16)18-3/h9H,4-8H2,1-3H3,(H,15,17).
What are the key properties of methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate?
methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate has a molecular weight of 283.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethyl-5-propylthiophene-2-carbonyl)amino]propanoate is sourced from PubChem (CID 60656066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).