4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide

C18H22N2O3S — CID 17168903

IUPAC4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-4-10-23-14-9-7-6-8-13(14)17(22)20-18-15(16(19)21)12(5-2)11(3)24-18/h6-9H,4-5,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeySBRINMKUYYWREO-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.76
Rot. Bonds7

About 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide

4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide (PubChem CID 17168903) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
PubChem CID17168903
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide
SMILESCCCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-4-10-23-14-9-7-6-8-13(14)17(22)20-18-15(16(19)21)12(5-2)11(3)24-18/h6-9H,4-5,10H2,1-3H3,(H2,19,21)(H,20,22)
InChIKeySBRINMKUYYWREO-UHFFFAOYSA-N
XLogP3.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-2-propoxybenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168930
2-[[5-bromo-2-(2-methoxyethoxy)benzoyl]amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168938
4-ethyl-5-methyl-2-[(2-nitrobenzoyl)amino]thiophene-3-carboxamide
CID 868760
4-ethyl-5-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]thiophene-3-carboxamide
CID 17168908
1-N,4-N-bis(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)benzene-1,4-dicarboxamide
CID 3575474
4-ethyl-2-[[4-(2-methoxyethoxy)benzoyl]amino]-5-methylthiophene-3-carboxamide
CID 17168933
4-ethyl-2-[(4-fluorobenzoyl)amino]-5-methylthiophene-3-carboxamide
CID 771120
2-[[2-(2-methoxyethoxy)benzoyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxamide
CID 17355957
4-ethyl-5-methyl-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 725819
2-[(2,2-diphenylacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 2930937
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
2-[2-(2-butan-2-ylphenoxy)propanoylamino]-4-ethyl-5-methylthiophene-3-carboxamide
CID 17168955

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide?
The IUPAC name of 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide (CID 17168903) is 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide is CCCOc1ccccc1C(=O)Nc1sc(C)c(CC)c1C(N)=O.
What is the InChIKey of 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide?
The InChIKey is SBRINMKUYYWREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-10-23-14-9-7-6-8-13(14)17(22)20-18-15(16(19)21)12(5-2)11(3)24-18/h6-9H,4-5,10H2,1-3H3,(H2,19,21)(H,20,22).
What are the key properties of 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide?
4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-[(2-propoxybenzoyl)amino]thiophene-3-carboxamide is sourced from PubChem (CID 17168903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).