N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide

C16H20N2OS — CID 6492105

IUPACN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-16(19)18-14-8-6-13(7-9-14)17-11-15-10-5-12(2)20-15/h5-10,17H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyBJVGUPWGSMOYHH-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.41
Rot. Bonds6

About N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide

N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide (PubChem CID 6492105) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide
PubChem CID6492105
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C16H20N2OS/c1-3-4-16(19)18-14-8-6-13(7-9-14)17-11-15-10-5-12(2)20-15/h5-10,17H,3-4,11H2,1-2H3,(H,18,19)
InChIKeyBJVGUPWGSMOYHH-UHFFFAOYSA-N
XLogP4.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide?
The IUPAC name of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide (CID 6492105) is N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1.
What is the InChIKey of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide?
The InChIKey is BJVGUPWGSMOYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-4-16(19)18-14-8-6-13(7-9-14)17-11-15-10-5-12(2)20-15/h5-10,17H,3-4,11H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide?
N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide has a molecular weight of 288.42 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]butanamide is sourced from PubChem (CID 6492105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).