[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate

C19H26N2O4S — CID 18130983

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C19H26N2O4S/c1-7-9-21(10-8-2)15(22)12-25-17(23)16-13(3)11-14(26-16)20-18(24)19(4,5)6/h7-8,11H,1-2,9-10,12H2,3-6H3,(H,20,24)
InChIKeyUGDUOJZSAKBMOE-UHFFFAOYSA-N
MW378.49 g/mol
LogP3.40
Rot. Bonds8

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate (PubChem CID 18130983) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
PubChem CID18130983
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
SMILESC=CCN(CC=C)C(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C19H26N2O4S/c1-7-9-21(10-8-2)15(22)12-25-17(23)16-13(3)11-14(26-16)20-18(24)19(4,5)6/h7-8,11H,1-2,9-10,12H2,3-6H3,(H,20,24)
InChIKeyUGDUOJZSAKBMOE-UHFFFAOYSA-N
XLogP3.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 17467558
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 30036936
prop-2-enyl 5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxylate
CID 47158600
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
methyl 2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]oxymethyl]furan-3-carboxylate
CID 31158485
ethyl 5-[[2-[2-[(5-ethoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethoxy]acetyl]amino]-3-methylthiophene-2-carboxylate
CID 16832326
[3-cyano-3-(1,3-dimethylbenzimidazol-2-ylidene)-2-oxopropyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 30685511
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 43037181
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[(2-ethoxyacetyl)amino]-3-methylthiophene-2-carboxylate
CID 43422858
5-(2,2-dimethylpropanoylamino)-N-(2-methoxyethyl)-3-methylthiophene-2-carboxamide
CID 51291707
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 42928978

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate (CID 18130983) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate is C=CCN(CC=C)C(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is UGDUOJZSAKBMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-7-9-21(10-8-2)15(22)12-25-17(23)16-13(3)11-14(26-16)20-18(24)19(4,5)6/h7-8,11H,1-2,9-10,12H2,3-6H3,(H,20,24).
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 18130983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).