5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide

C27H40N2O2S — CID 54789656

IUPAC5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
SMILESCCCCCCCCCCCCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C27H40N2O2S/c1-3-4-5-6-7-8-9-10-11-12-16-19-24(30)29-27-25(26(28)31)21(2)23(32-27)20-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-20H2,1-2H3,(H2,28,31)(H,29,30)
InChIKeyUHCHTLVOYDWTOW-UHFFFAOYSA-N
MW456.70 g/mol
LogP7.39
Rot. Bonds16

About 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide

5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide (PubChem CID 54789656) has the molecular formula C27H40N2O2S and a molecular weight of 456.70 g/mol. Its IUPAC name is 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
PubChem CID54789656
Molecular FormulaC27H40N2O2S
Molecular Weight456.70 g/mol
Exact Mass456.28
IUPAC Name5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide
SMILESCCCCCCCCCCCCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O
InChIInChI=1S/C27H40N2O2S/c1-3-4-5-6-7-8-9-10-11-12-16-19-24(30)29-27-25(26(28)31)21(2)23(32-27)20-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-20H2,1-2H3,(H2,28,31)(H,29,30)
InChIKeyUHCHTLVOYDWTOW-UHFFFAOYSA-N
XLogP7.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.70
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide 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

4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 687585
5-benzyl-2-[[2-(4-methoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1010410
5-benzyl-4-methyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 1178231
2-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)carbamoyl]benzoic acid
CID 1016213
5-benzyl-2-[[2-(3,4-diethoxyphenyl)acetyl]amino]-4-methylthiophene-3-carboxamide
CID 1293810
5-benzyl-2-[(4-tert-butylbenzoyl)amino]-4-methylthiophene-3-carboxamide
CID 1013520
2-(adamantane-1-carbonylamino)-5-benzyl-4-methylthiophene-3-carboxamide
CID 54787416
5-benzyl-2-[3-(2-chlorophenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 4506502
5-benzyl-2-[3-(4-fluorophenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1303900
5-benzyl-2-[3-(furan-2-yl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1276315
5-benzyl-2-[3-(4-methoxyphenyl)prop-2-enoylamino]-4-methylthiophene-3-carboxamide
CID 1192055

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide?
The IUPAC name of 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide (CID 54789656) is 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide.
What is the SMILES notation for 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide?
The canonical SMILES for 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide is CCCCCCCCCCCCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O.
What is the InChIKey of 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide?
The InChIKey is UHCHTLVOYDWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O2S/c1-3-4-5-6-7-8-9-10-11-12-16-19-24(30)29-27-25(26(28)31)21(2)23(32-27)20-22-17-14-13-15-18-22/h13-15,17-18H,3-12,16,19-20H2,1-2H3,(H2,28,31)(H,29,30).
What are the key properties of 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide?
5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide has a molecular weight of 456.70 g/mol, XLogP of 7.39, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-methyl-2-(tetradecanoylamino)thiophene-3-carboxamide is sourced from PubChem (CID 54789656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).