N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide

C16H20N2O2S — CID 66385169

IUPACN-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCCOc1cc(C)ccc1NCc1sccc1NC(C)=O
InChIInChI=1S/C16H20N2O2S/c1-4-20-15-9-11(2)5-6-13(15)17-10-16-14(7-8-21-16)18-12(3)19/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKeyIUYOGIWSEOVRNQ-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.03
Rot. Bonds6

About N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide

N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide (PubChem CID 66385169) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
PubChem CID66385169
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
SMILESCCOc1cc(C)ccc1NCc1sccc1NC(C)=O
InChIInChI=1S/C16H20N2O2S/c1-4-20-15-9-11(2)5-6-13(15)17-10-16-14(7-8-21-16)18-12(3)19/h5-9,17H,4,10H2,1-3H3,(H,18,19)
InChIKeyIUYOGIWSEOVRNQ-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 115380178
N-[2-[(2-fluoro-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66384913
N-[(3-bromothiophen-2-yl)methyl]-4-methyl-2-propoxyaniline
CID 115380179
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
CID 54864631
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
methyl 2-[(3-acetamidothiophen-2-yl)methylamino]-2-methylpropanoate
CID 66387556
methyl 5-methyl-2-[(3-methylthiophen-2-yl)methylamino]benzoate
CID 43679192
N-[2-[(5-bromo-4-fluoro-2-methylanilino)methyl]thiophen-3-yl]acetamide
CID 107591392
N-[2-[(2-methyl-5-nitroanilino)methyl]thiophen-3-yl]acetamide
CID 66385553
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
3-(2-ethoxy-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896946
N-[2-[(2,4,6-tribromoanilino)methyl]thiophen-3-yl]acetamide
CID 66386124

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide?
The IUPAC name of N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide (CID 66385169) is N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide.
What is the SMILES notation for N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide?
The canonical SMILES for N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide is CCOc1cc(C)ccc1NCc1sccc1NC(C)=O.
What is the InChIKey of N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide?
The InChIKey is IUYOGIWSEOVRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-4-20-15-9-11(2)5-6-13(15)17-10-16-14(7-8-21-16)18-12(3)19/h5-9,17H,4,10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide?
N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide has a molecular weight of 304.42 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide is sourced from PubChem (CID 66385169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).