N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide

C14H16N2OS — CID 43739569

IUPACN-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-10-5-6-12(16-11(2)17)8-14(10)15-9-13-4-3-7-18-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeySMIQFJDBJGQQRI-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.63
Rot. Bonds4

About N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide

N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide (PubChem CID 43739569) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
PubChem CID43739569
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C)c(NCc2cccs2)c1
InChIInChI=1S/C14H16N2OS/c1-10-5-6-12(16-11(2)17)8-14(10)15-9-13-4-3-7-18-13/h3-8,15H,9H2,1-2H3,(H,16,17)
InChIKeySMIQFJDBJGQQRI-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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Related Compounds

N-[4-methyl-3-(thiophen-2-ylmethylsulfamoyl)phenyl]acetamide
CID 39792806
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]acetamide
CID 75499167
N-[4-methyl-3-(1H-pyrrol-2-ylmethylamino)phenyl]acetamide
CID 55060453
N-[3-[(5-bromofuran-2-yl)methylamino]-4-methylphenyl]acetamide
CID 43739581
tert-butyl N-[4-fluoro-3-(thiophen-2-ylmethylamino)phenyl]carbamate
CID 107241001
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
N-[4-methyl-3-(1,3-thiazol-4-ylmethylamino)phenyl]acetamide
CID 61171799
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
N-[3-[(2-hydroxy-5-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 63324854
3,4-dichloro-N-[4-methoxy-3-(thiophen-2-ylmethylamino)phenyl]benzamide
CID 18626121
2-(4-acetamidophenyl)-N-(thiophen-2-ylmethyl)acetamide
CID 9363258

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide (CID 43739569) is N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(C)c(NCc2cccs2)c1.
What is the InChIKey of N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide?
The InChIKey is SMIQFJDBJGQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-5-6-12(16-11(2)17)8-14(10)15-9-13-4-3-7-18-13/h3-8,15H,9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide?
N-[4-methyl-3-(thiophen-2-ylmethylamino)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-methyl-3-(thiophen-2-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43739569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).