4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide

C18H22N2O3S — CID 903679

IUPAC4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CCc2ccc(OC)cc2)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-4-14-11(2)24-18(16(14)17(19)22)20-15(21)10-7-12-5-8-13(23-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyWXSGKIFKYKKJIT-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.30
Rot. Bonds7

About 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide

4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide (PubChem CID 903679) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide
PubChem CID903679
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide
SMILESCCc1c(C)sc(NC(=O)CCc2ccc(OC)cc2)c1C(N)=O
InChIInChI=1S/C18H22N2O3S/c1-4-14-11(2)24-18(16(14)17(19)22)20-15(21)10-7-12-5-8-13(23-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,19,22)(H,20,21)
InChIKeyWXSGKIFKYKKJIT-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Flt-3 inhibitor
CID 1048845
2-(4-(tert-Butyl)benzamido)-4-(4-methoxyphenyl)thiophene-3-carboxylic acid
CID 1724256
5-[4-(2-Dimethylaminoethyloxy)phenyl]-2-Ureido-Thiophene-3-Carboxamide
CID 9902908
2-[(2,6-Dimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1219754
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-(1-pyrrolidinyl)acetamide
CID 2814375
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 675881
2-(3,4-Dimethoxybenzamido)-4,5-dimethylthiophene-3-carboxamide
CID 841038
2-(3-Methoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 961926
2-(4-Methoxybenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2306193
Ethyl 4-(4-methoxyphenyl)-2-{[(phenylsulfanyl)acetyl]amino}thiophene-3-carboxylate
CID 1008698
N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
CID 2814376
2-[2-(2-Methoxyphenyl)acetylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbo xamide
CID 674573

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide?
The IUPAC name of 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide (CID 903679) is 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide?
The canonical SMILES for 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide is CCc1c(C)sc(NC(=O)CCc2ccc(OC)cc2)c1C(N)=O.
What is the InChIKey of 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide?
The InChIKey is WXSGKIFKYKKJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-4-14-11(2)24-18(16(14)17(19)22)20-15(21)10-7-12-5-8-13(23-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H2,19,22)(H,20,21).
What are the key properties of 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide?
4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(4-methoxyphenyl)propanoylamino]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).