[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate

C18H28N2O4S — CID 42928978

IUPAC[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)OC(C)C(=O)NCC(C)C
InChIInChI=1S/C18H28N2O4S/c1-10(2)9-19-15(21)12(4)24-16(22)14-11(3)8-13(25-14)20-17(23)18(5,6)7/h8,10,12H,9H2,1-7H3,(H,19,21)(H,20,23)
InChIKeyPAYOWDQKWUIFAH-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.36
Rot. Bonds6

About [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate

[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate (PubChem CID 42928978) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
PubChem CID42928978
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)OC(C)C(=O)NCC(C)C
InChIInChI=1S/C18H28N2O4S/c1-10(2)9-19-15(21)12(4)24-16(22)14-11(3)8-13(25-14)20-17(23)18(5,6)7/h8,10,12H,9H2,1-7H3,(H,19,21)(H,20,23)
InChIKeyPAYOWDQKWUIFAH-UHFFFAOYSA-N
XLogP3.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate with MolForge

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Related Compounds

[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 55476704
[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 43047797
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 17467558
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 46676894
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
CID 94477906
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-methylthiophene-2-carboxylate
CID 46619427
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 43044497
methyl 2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]oxymethyl]furan-3-carboxylate
CID 31158485
5-(2,2-dimethylpropanoylamino)-N-(2-ethyl-2-hydroxybutyl)-3-methylthiophene-2-carboxamide
CID 111485903
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate
CID 18130983
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 34166719
N-(2,5-dimethylphenyl)-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 33217310

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The IUPAC name of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate (CID 42928978) is [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)OC(C)C(=O)NCC(C)C.
What is the InChIKey of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
The InChIKey is PAYOWDQKWUIFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-10(2)9-19-15(21)12(4)24-16(22)14-11(3)8-13(25-14)20-17(23)18(5,6)7/h8,10,12H,9H2,1-7H3,(H,19,21)(H,20,23).
What are the key properties of [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate?
[1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate has a molecular weight of 368.50 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropylamino)-1-oxopropan-2-yl] 5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 42928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).