N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

C17H21NO3S — CID 78798322

IUPACN-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C17H21NO3S/c1-4-18(9-10-19)17(20)16-11-15(12(2)22-16)13-5-7-14(21-3)8-6-13/h5-8,11,19H,4,9-10H2,1-3H3
InChIKeySZUFPQDFOHDWQQ-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.19
Rot. Bonds6

About N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide

N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (PubChem CID 78798322) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
PubChem CID78798322
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
SMILESCCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1
InChIInChI=1S/C17H21NO3S/c1-4-18(9-10-19)17(20)16-11-15(12(2)22-16)13-5-7-14(21-3)8-6-13/h5-8,11,19H,4,9-10H2,1-3H3
InChIKeySZUFPQDFOHDWQQ-UHFFFAOYSA-N
XLogP3.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61109885
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
2-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 78855524
4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
CID 167890274
N-ethyl-N-(2-hydroxyethyl)-6-methoxyquinoline-2-carboxamide
CID 110886561
N-[2-(cyclopropanecarbonylamino)ethyl]-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78779390
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
CID 55392246
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
N-(furan-2-ylmethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78773680

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide (CID 78798322) is N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is CCN(CCO)C(=O)c1cc(-c2ccc(OC)cc2)c(C)s1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
The InChIKey is SZUFPQDFOHDWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-4-18(9-10-19)17(20)16-11-15(12(2)22-16)13-5-7-14(21-3)8-6-13/h5-8,11,19H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 78798322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).