methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate

C19H23NO3S — CID 19199677

IUPACmethyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate
SMILESCCCCC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC
InChIInChI=1S/C19H23NO3S/c1-4-6-7-16(21)20-18-17(19(22)23-3)15(12-24-18)14-10-8-13(5-2)9-11-14/h8-12H,4-7H2,1-3H3,(H,20,21)
InChIKeySXVMACLIVQPBDD-UHFFFAOYSA-N
MW345.46 g/mol
LogP4.89
Rot. Bonds7

About methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate

methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate (PubChem CID 19199677) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate
PubChem CID19199677
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Namemethyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate
SMILESCCCCC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC
InChIInChI=1S/C19H23NO3S/c1-4-6-7-16(21)20-18-17(19(22)23-3)15(12-24-18)14-10-8-13(5-2)9-11-14/h8-12H,4-7H2,1-3H3,(H,20,21)
InChIKeySXVMACLIVQPBDD-UHFFFAOYSA-N
XLogP4.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(butanoylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19199669
methyl 4-(4-fluorophenyl)-2-(pentanoylamino)thiophene-3-carboxylate
CID 5076598
methyl 4-(4-fluorophenyl)-2-(undecanoylamino)thiophene-3-carboxylate
CID 3309091
methyl 4-(4-chlorophenyl)-2-[4-(4-ethylphenoxy)butanoylamino]thiophene-3-carboxylate
CID 2241912
methyl 2-(butanoylamino)-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 2241721
methyl 2-[4-(2,4-dimethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19199946
methyl 2-[(4-ethylbenzoyl)amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19229496
methyl 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19199948
methyl 4-(4-bromophenyl)-2-[[4-[[4-(4-bromophenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoyl]amino]thiophene-3-carboxylate
CID 3267433
methyl 2-(cyclopropanecarbonylamino)-4-(4-ethylphenyl)thiophene-3-carboxylate
CID 19228640
4-(4-methylphenyl)-2-(pentanoylamino)thiophene-3-carboxylic acid
CID 28859727
ethyl 2-(pentanoylamino)-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 28693136

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate (CID 19199677) is methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate is CCCCC(=O)Nc1scc(-c2ccc(CC)cc2)c1C(=O)OC.
What is the InChIKey of methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate?
The InChIKey is SXVMACLIVQPBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-6-7-16(21)20-18-17(19(22)23-3)15(12-24-18)14-10-8-13(5-2)9-11-14/h8-12H,4-7H2,1-3H3,(H,20,21).
What are the key properties of methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate?
methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate has a molecular weight of 345.46 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-ethylphenyl)-2-(pentanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 19199677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).