4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide

C22H30N2O2S — CID 9186331

IUPAC4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1CC
InChIInChI=1S/C22H30N2O2S/c1-7-9-18-17(8-2)12-19(27-18)22(26)24(6)13-20(25)23-21-15(4)10-14(3)11-16(21)5/h10-12H,7-9,13H2,1-6H3,(H,23,25)
InChIKeyCXNZWCTVPDUCIY-UHFFFAOYSA-N
MW386.56 g/mol
LogP4.90
Rot. Bonds7

About 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide

4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide (PubChem CID 9186331) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide
PubChem CID9186331
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC Name4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide
SMILESCCCc1sc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1CC
InChIInChI=1S/C22H30N2O2S/c1-7-9-18-17(8-2)12-19(27-18)22(26)24(6)13-20(25)23-21-15(4)10-14(3)11-16(21)5/h10-12H,7-9,13H2,1-6H3,(H,23,25)
InChIKeyCXNZWCTVPDUCIY-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-5-propylthiophene-2-carboxamide
CID 9374448
N,4,5-trimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31523361
N-(2-amino-2-oxoethyl)-4-ethyl-N-methyl-5-propylthiophene-2-carboxamide
CID 47210170
N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propylthiophene-2-carboxamide
CID 9374479
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
2,3,4,5-tetrafluoro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 29427521
4-ethyl-N-methyl-N-phenyl-5-propylthiophene-2-carboxamide
CID 134028656
5-(1,3-benzothiazol-2-yl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]thiophene-2-carboxamide
CID 31177672
4-ethyl-N-methyl-5-propyl-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 56510511

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide?
The IUPAC name of 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide (CID 9186331) is 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide?
The canonical SMILES for 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide is CCCc1sc(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1CC.
What is the InChIKey of 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide?
The InChIKey is CXNZWCTVPDUCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-7-9-18-17(8-2)12-19(27-18)22(26)24(6)13-20(25)23-21-15(4)10-14(3)11-16(21)5/h10-12H,7-9,13H2,1-6H3,(H,23,25).
What are the key properties of 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide?
4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide has a molecular weight of 386.56 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-propylthiophene-2-carboxamide is sourced from PubChem (CID 9186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).