N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide

C18H22N2O2S — CID 26907103

IUPACN-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)18(22)20-15-10-8-14(9-11-15)19-17(21)7-3-5-16-6-4-12-23-16/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKUTYINTZLUJLCS-UHFFFAOYSA-N
MW330.45 g/mol
LogP4.30
Rot. Bonds7

About N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide

N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide (PubChem CID 26907103) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
PubChem CID26907103
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1
InChIInChI=1S/C18H22N2O2S/c1-13(2)18(22)20-15-10-8-14(9-11-15)19-17(21)7-3-5-16-6-4-12-23-16/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyKUTYINTZLUJLCS-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide 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

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-thiophen-2-ylbutanamide
CID 51332838
4-thiophen-2-yl-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]butanamide
CID 42957346
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
N-(3-iodophenyl)-4-thiophen-2-ylbutanamide
CID 7688853
N-(3-chlorophenyl)-4-thiophen-2-ylbutanamide
CID 4820268
N-(4-iodophenyl)-3-thiophen-2-ylpropanamide
CID 2991783
N-[4-(2-methoxyphenoxy)phenyl]-4-thiophen-2-ylbutanamide
CID 27901791
[(2R)-1-anilino-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962650
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962685
N-[4-(propylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide
CID 38356025
N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide
CID 42958667
N-(4-ethylphenyl)-3-thiophen-2-ylpropanamide
CID 70852355

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide (CID 26907103) is N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide is CC(C)C(=O)Nc1ccc(NC(=O)CCCc2cccs2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
The InChIKey is KUTYINTZLUJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-13(2)18(22)20-15-10-8-14(9-11-15)19-17(21)7-3-5-16-6-4-12-23-16/h4,6,8-13H,3,5,7H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide?
N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide has a molecular weight of 330.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 26907103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).