[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate

C18H21NO4S — CID 55392246

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC(C)C(=O)N(C)C)sc2C)cc1
InChIInChI=1S/C18H21NO4S/c1-11(17(20)19(3)4)23-18(21)16-10-15(12(2)24-16)13-6-8-14(22-5)9-7-13/h6-11H,1-5H3
InChIKeyDNVFWRGXZAMBTR-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.37
Rot. Bonds5

About [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate

[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate (PubChem CID 55392246) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
PubChem CID55392246
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OC(C)C(=O)N(C)C)sc2C)cc1
InChIInChI=1S/C18H21NO4S/c1-11(17(20)19(3)4)23-18(21)16-10-15(12(2)24-16)13-6-8-14(22-5)9-7-13/h6-11H,1-5H3
InChIKeyDNVFWRGXZAMBTR-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8824912
4-(4-methoxyphenyl)-5-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 78773588
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
1-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 78864219
N-ethyl-N-(2-hydroxyethyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 78798322
4-(4-methoxyphenyl)-5-methyl-N-[2-(methylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120831426
4-(4-methoxyphenyl)-N,5-dimethyl-N-[(2-sulfamoylphenyl)methyl]thiophene-2-carboxamide
CID 167890274
N-benzyl-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 112760256
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011
[4-[4-(4-methoxyphenyl)-5-methylthiophene-2-carbonyl]piperazin-1-yl]-phenylmethanone
CID 31188365
[2-(aminomethyl)piperidin-1-yl]-[4-(4-methoxyphenyl)-5-methylthiophen-2-yl]methanone
CID 119466117
N-(4-aminocyclohexyl)-4-(4-methoxyphenyl)-5-methylthiophene-2-carboxamide;hydrochloride
CID 119474300

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate (CID 55392246) is [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate is COc1ccc(-c2cc(C(=O)OC(C)C(=O)N(C)C)sc2C)cc1.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
The InChIKey is DNVFWRGXZAMBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-11(17(20)19(3)4)23-18(21)16-10-15(12(2)24-16)13-6-8-14(22-5)9-7-13/h6-11H,1-5H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate?
[1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate has a molecular weight of 347.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 4-(4-methoxyphenyl)-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 55392246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).