N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide

C15H18N2OS — CID 43735899

IUPACN-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2sccc2C)ccc1C
InChIInChI=1S/C15H18N2OS/c1-10-4-5-13(8-14(10)17-12(3)18)16-9-15-11(2)6-7-19-15/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyVUYLGXZSBZTIEF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.94
Rot. Bonds4

About N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide

N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide (PubChem CID 43735899) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
PubChem CID43735899
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2sccc2C)ccc1C
InChIInChI=1S/C15H18N2OS/c1-10-4-5-13(8-14(10)17-12(3)18)16-9-15-11(2)6-7-19-15/h4-8,16H,9H2,1-3H3,(H,17,18)
InChIKeyVUYLGXZSBZTIEF-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]acetamide
CID 110006528
N-[5-[(3-fluoro-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 63645883
N-[5-[(2,3-dimethylphenyl)methylamino]-2-methylphenyl]acetamide
CID 60980390
N-[2-[(3-fluoro-4-hydroxyanilino)methyl]thiophen-3-yl]acetamide
CID 66385208
methyl 4-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43139141
N-[2-[(thiophen-3-ylamino)methyl]thiophen-3-yl]acetamide
CID 66385011
methyl 4-methyl-3-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43680502
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N,4-dimethyl-3-[(3-methylthiophen-2-yl)methylamino]benzamide
CID 43726884
N-[2-[(2,3-dihydro-1H-inden-5-ylamino)methyl]thiophen-3-yl]acetamide
CID 66387299

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide (CID 43735899) is N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide is CC(=O)Nc1cc(NCc2sccc2C)ccc1C.
What is the InChIKey of N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide?
The InChIKey is VUYLGXZSBZTIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-4-5-13(8-14(10)17-12(3)18)16-9-15-11(2)6-7-19-15/h4-8,16H,9H2,1-3H3,(H,17,18).
What are the key properties of N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide?
N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide has a molecular weight of 274.39 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(3-methylthiophen-2-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 43735899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).