[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

C18H21NO3S — CID 7683646

IUPAC[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)sc1C
InChIInChI=1S/C18H21NO3S/c1-4-5-14-10-16(23-13(14)3)18(21)22-11-17(20)19-15-8-6-12(2)7-9-15/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyNMQZYLAHBIUXKQ-UHFFFAOYSA-N
MW331.44 g/mol
LogP4.11
Rot. Bonds6

About [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate

[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (PubChem CID 7683646) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
PubChem CID7683646
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
SMILESCCCc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)sc1C
InChIInChI=1S/C18H21NO3S/c1-4-5-14-10-16(23-13(14)3)18(21)22-11-17(20)19-15-8-6-12(2)7-9-15/h6-10H,4-5,11H2,1-3H3,(H,19,20)
InChIKeyNMQZYLAHBIUXKQ-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7683649
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418970
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418679
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7262631
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418699
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516847
[2-(4-methoxycarbonylanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847451
5-methyl-N-(4-methylphenyl)-4-propylthiophene-2-carboxamide
CID 7899856
[2-(4-cyanoanilino)-2-oxoethyl] 4-ethyl-5-methylthiophene-2-carboxylate
CID 7847482
N,5-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]-4-propylthiophene-2-carboxamide
CID 9374479
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 16516830
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 5-methyl-4-propylthiophene-2-carboxylate
CID 7418951

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The IUPAC name of [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate (CID 7683646) is [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate.
What is the SMILES notation for [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The canonical SMILES for [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is CCCc1cc(C(=O)OCC(=O)Nc2ccc(C)cc2)sc1C.
What is the InChIKey of [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
The InChIKey is NMQZYLAHBIUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-5-14-10-16(23-13(14)3)18(21)22-11-17(20)19-15-8-6-12(2)7-9-15/h6-10H,4-5,11H2,1-3H3,(H,19,20).
What are the key properties of [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate?
[2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate has a molecular weight of 331.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylanilino)-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate is sourced from PubChem (CID 7683646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).