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

C14H16N2OS — CID 6492101

IUPACN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C14H16N2OS/c1-10-3-8-14(18-10)9-15-12-4-6-13(7-5-12)16-11(2)17/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyVFAXHMNLZQEHDE-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.63
Rot. Bonds4

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

N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide (PubChem CID 6492101) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
PubChem CID6492101
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)s2)cc1
InChIInChI=1S/C14H16N2OS/c1-10-3-8-14(18-10)9-15-12-4-6-13(7-5-12)16-11(2)17/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeyVFAXHMNLZQEHDE-UHFFFAOYSA-N
XLogP3.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide (CID 6492101) is N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(C)s2)cc1.
What is the InChIKey of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The InChIKey is VFAXHMNLZQEHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-3-8-14(18-10)9-15-12-4-6-13(7-5-12)16-11(2)17/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide?
N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]acetamide has a molecular weight of 260.36 g/mol, XLogP of 3.63, 4 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]acetamide is sourced from PubChem (CID 6492101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).