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

C16H20N2OS — CID 62344823

IUPAC2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CNc2ccccc2CC(=O)NC)s1
InChIInChI=1S/C16H20N2OS/c1-3-13-8-9-14(20-13)11-18-15-7-5-4-6-12(15)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyFGLSFDHLCSPTOX-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.21
Rot. Bonds6

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

2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide (PubChem CID 62344823) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
PubChem CID62344823
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
SMILESCCc1ccc(CNc2ccccc2CC(=O)NC)s1
InChIInChI=1S/C16H20N2OS/c1-3-13-8-9-14(20-13)11-18-15-7-5-4-6-12(15)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19)
InChIKeyFGLSFDHLCSPTOX-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-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 62347331
2-[2-[(2,3-dihydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 61319910
2-[2-(heptylamino)phenyl]-N-methylacetamide
CID 43692231
2-[2-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 104879443
2-[2-[(1-ethylpyrrol-2-yl)methylamino]phenyl]-N-methylacetamide
CID 66411921
4-bromo-2-ethyl-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 81292299
2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]-N-methylacetamide
CID 43692270
2-[3-[(5-ethylthiophen-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 62345183
2-[2-[(3,4-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43692182
methyl 2-[5-[(2-fluoroanilino)methyl]thiophen-2-yl]acetate
CID 82894694
2-[2-(cyclopentylmethylamino)phenyl]-N-methylacetamide
CID 55030650
2-[[5-(2-methoxy-2-oxoethyl)thiophen-2-yl]methylamino]benzoic acid
CID 82886705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide (CID 62344823) is 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide is CCc1ccc(CNc2ccccc2CC(=O)NC)s1.
What is the InChIKey of 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is FGLSFDHLCSPTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-13-8-9-14(20-13)11-18-15-7-5-4-6-12(15)10-16(19)17-2/h4-9,18H,3,10-11H2,1-2H3,(H,17,19).
What are the key properties of 2-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide?
2-[2-[(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-[2-[(5-ethylthiophen-2-yl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 62344823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).