N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide

C19H24N2O2S — CID 27760041

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)sc1C
InChIInChI=1S/C19H24N2O2S/c1-5-7-15-10-16(24-14(15)4)19(23)20-11-17(22)21-18-12(2)8-6-9-13(18)3/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKUKCDQQZBGEPPZ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.99
Rot. Bonds6

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide (PubChem CID 27760041) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide
PubChem CID27760041
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide
SMILESCCCc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)sc1C
InChIInChI=1S/C19H24N2O2S/c1-5-7-15-10-16(24-14(15)4)19(23)20-11-17(22)21-18-12(2)8-6-9-13(18)3/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22)
InChIKeyKUKCDQQZBGEPPZ-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 18082264
N-[(2R)-2-hydroxypropyl]-5-methyl-4-propylthiophene-2-carboxamide
CID 83031783
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
[2-(2-methyl-6-nitroanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418660
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 27781375
N-(6-hydroxyhexyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 103918925
5-methyl-4-propyl-N-pyridin-4-ylthiophene-2-carboxamide
CID 27699944
N-(2-hydroxy-2-methylbutyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 65114379
2,2-dimethyl-3-[(5-methyl-4-propylthiophene-2-carbonyl)amino]propanoic acid
CID 81369148
N-(5-fluoro-2-methylphenyl)-5-methyl-4-propylthiophene-2-carboxamide
CID 4828452
N',N',5-trimethyl-4-propylthiophene-2-carbohydrazide
CID 9179994
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide (CID 27760041) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide is CCCc1cc(C(=O)NCC(=O)Nc2c(C)cccc2C)sc1C.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide?
The InChIKey is KUKCDQQZBGEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-5-7-15-10-16(24-14(15)4)19(23)20-11-17(22)21-18-12(2)8-6-9-13(18)3/h6,8-10H,5,7,11H2,1-4H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-methyl-4-propylthiophene-2-carboxamide is sourced from PubChem (CID 27760041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).