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

C16H20N2O2S — CID 62345367

IUPACN-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
SMILESCCc1ccc(CNc2ccc(NC(=O)COC)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-3-14-8-9-15(21-14)10-17-12-4-6-13(7-5-12)18-16(19)11-20-2/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyYMRWGKWTQQJKEG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.51
Rot. Bonds7

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

N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide (PubChem CID 62345367) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
PubChem CID62345367
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
SMILESCCc1ccc(CNc2ccc(NC(=O)COC)cc2)s1
InChIInChI=1S/C16H20N2O2S/c1-3-14-8-9-15(21-14)10-17-12-4-6-13(7-5-12)18-16(19)11-20-2/h4-9,17H,3,10-11H2,1-2H3,(H,18,19)
InChIKeyYMRWGKWTQQJKEG-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62760279
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
4-N,4-N-diethyl-1-N-[(5-ethylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 62346787
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-[4-[(5-cyanofuran-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115652546
4-(chloromethyl)-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 65025343
ethyl N-[4-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
CID 43703806
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-methylpentanamide
CID 60848779

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide (CID 62345367) is N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide is CCc1ccc(CNc2ccc(NC(=O)COC)cc2)s1.
What is the InChIKey of N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide?
The InChIKey is YMRWGKWTQQJKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-14-8-9-15(21-14)10-17-12-4-6-13(7-5-12)18-16(19)11-20-2/h4-9,17H,3,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide?
N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide has a molecular weight of 304.42 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 62345367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).