N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

C16H19NO2S — CID 4820666

IUPACN-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C16H19NO2S/c1-4-14-11(3)10-15(20-14)16(18)17-12-8-6-7-9-13(12)19-5-2/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyAITXDMJGLQIPQA-UHFFFAOYSA-N
MW289.40 g/mol
LogP4.27
Rot. Bonds5

About N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide

N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (PubChem CID 4820666) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
PubChem CID4820666
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC NameN-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(C)c(CC)s1
InChIInChI=1S/C16H19NO2S/c1-4-14-11(3)10-15(20-14)16(18)17-12-8-6-7-9-13(12)19-5-2/h6-10H,4-5H2,1-3H3,(H,17,18)
InChIKeyAITXDMJGLQIPQA-UHFFFAOYSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]benzoate
CID 43403969
N-(2-ethoxyphenyl)-4-methylthiophene-2-carboxamide
CID 110860143
N-(2-ethoxyphenyl)-1-oxoisothiochromene-3-carboxamide
CID 17015267
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
N-(2-ethoxyphenyl)-7,8-dimethyl-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326271
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
CID 79975729
(5R)-N-(2-ethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7935040
5-ethyl-4-methyl-N-(4-phenoxyphenyl)thiophene-2-carboxamide
CID 7914877
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 86999840
2-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]-3-methylphenoxy]acetic acid
CID 119231593

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide (CID 4820666) is N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is CCOc1ccccc1NC(=O)c1cc(C)c(CC)s1.
What is the InChIKey of N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
The InChIKey is AITXDMJGLQIPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c1-4-14-11(3)10-15(20-14)16(18)17-12-8-6-7-9-13(12)19-5-2/h6-10H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide?
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 4820666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).