2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide

C16H20N2OS — CID 62347331

IUPAC2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CNc2ccc(CC(=O)NC)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-3-14-8-9-15(20-14)11-18-13-6-4-12(5-7-13)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyXMHKAGXWAKCBRG-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds6

About 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide

2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 62347331) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID62347331
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CNc2ccc(CC(=O)NC)cc2)s1
InChIInChI=1S/C16H20N2OS/c1-3-14-8-9-15(20-14)11-18-13-6-4-12(5-7-13)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyXMHKAGXWAKCBRG-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62344823
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43714168
N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 62345367
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
2-[4-(furan-2-ylmethylamino)phenyl]-N-methylacetamide
CID 43713977
2-[4-(butylamino)phenyl]-N-methylacetamide
CID 43714159
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide (CID 62347331) is 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide is CCc1ccc(CNc2ccc(CC(=O)NC)cc2)s1.
What is the InChIKey of 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is XMHKAGXWAKCBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-14-8-9-15(20-14)11-18-13-6-4-12(5-7-13)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 288.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 62347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).