methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate

C13H19NO4S — CID 78945933

IUPACmethyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1sccc1OC)C(=O)OC
InChIInChI=1S/C13H19NO4S/c1-5-7-13(2,12(16)18-4)14-11(15)10-9(17-3)6-8-19-10/h6,8H,5,7H2,1-4H3,(H,14,15)
InChIKeyQCNNYTRMULHVMO-UHFFFAOYSA-N
MW285.36 g/mol
LogP2.22
Rot. Bonds6

About methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate

methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate (PubChem CID 78945933) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
PubChem CID78945933
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1sccc1OC)C(=O)OC
InChIInChI=1S/C13H19NO4S/c1-5-7-13(2,12(16)18-4)14-11(15)10-9(17-3)6-8-19-10/h6,8H,5,7H2,1-4H3,(H,14,15)
InChIKeyQCNNYTRMULHVMO-UHFFFAOYSA-N
XLogP2.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 81122517
N-(1-chloro-2-methylbutan-2-yl)-3-methoxythiophene-2-carboxamide
CID 114303689
2-[(3-methoxythiophene-2-carbonyl)amino]-2-methyl-3-phenoxypropanoic acid
CID 71915606
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-methoxythiophene-2-carboxamide
CID 107867966
methyl 2-methyl-2-(pyridine-4-carbonylamino)pentanoate
CID 43431377
N-(3-chloro-2,2-dimethylpropyl)-3-methoxythiophene-2-carboxamide
CID 115364635
1-(3-methoxythiophen-2-yl)-4,4-dimethylpentan-1-one
CID 114969997
methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
N-[2-(4-chlorophenyl)propan-2-yl]-3-methoxythiophene-2-carboxamide
CID 110445987
methyl 2-methyl-2-[(4-methylthiophene-3-carbonyl)amino]pentanoate
CID 79769737
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate (CID 78945933) is methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1sccc1OC)C(=O)OC.
What is the InChIKey of methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate?
The InChIKey is QCNNYTRMULHVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-5-7-13(2,12(16)18-4)14-11(15)10-9(17-3)6-8-19-10/h6,8H,5,7H2,1-4H3,(H,14,15).
What are the key properties of methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate has a molecular weight of 285.36 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxythiophene-2-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 78945933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).