pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate

C13H19NO3S — CID 91704816

IUPACpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-3-4-5-8-17-12(15)10-14(2)13(16)11-7-6-9-18-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyUDZMDURKHGLMGL-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.55
Rot. Bonds7

About pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate

pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (PubChem CID 91704816) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namepentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
PubChem CID91704816
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Namepentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C13H19NO3S/c1-3-4-5-8-17-12(15)10-14(2)13(16)11-7-6-9-18-11/h6-7,9H,3-5,8,10H2,1-2H3
InChIKeyUDZMDURKHGLMGL-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 531389
CID 531389
CID 531395
CID 531395
CID 531921
CID 531921
CID 2916225
CID 2916225
CID 2292963
CID 2292963
CID 2851287
CID 2851287
CID 2287726
CID 2287726
CID 728491
CID 728491
CID 2740713
CID 2740713
CID 2421923
CID 2421923
CID 1720748
CID 1720748
CID 973369
CID 973369

Frequently Asked Questions

What is the IUPAC name of pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (CID 91704816) is pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is CCCCCOC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is UDZMDURKHGLMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-4-5-8-17-12(15)10-14(2)13(16)11-7-6-9-18-11/h6-7,9H,3-5,8,10H2,1-2H3.
What are the key properties of pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 269.37 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 91704816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).