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

C18H29NO3S — CID 91704823

IUPACdecyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-10-13-22-17(20)15-19(2)18(21)16-12-11-14-23-16/h11-12,14H,3-10,13,15H2,1-2H3
InChIKeyLTLAMNCOPFFPBX-UHFFFAOYSA-N
MW339.50 g/mol
LogP4.50
Rot. Bonds12

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

decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (PubChem CID 91704823) has the molecular formula C18H29NO3S and a molecular weight of 339.50 g/mol. Its IUPAC name is decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namedecyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
PubChem CID91704823
Molecular FormulaC18H29NO3S
Molecular Weight339.50 g/mol
Exact Mass339.19
IUPAC Namedecyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-10-13-22-17(20)15-19(2)18(21)16-12-11-14-23-16/h11-12,14H,3-10,13,15H2,1-2H3
InChIKeyLTLAMNCOPFFPBX-UHFFFAOYSA-N
XLogP4.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.50
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

hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704818
4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
heptyl thiophene-2-carboxylate
CID 574115
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
decyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710672
octyl 2-[(2-chlorobenzoyl)-methylamino]acetate
CID 91716463
heptyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716467
decyl 2-[(4-chlorobenzoyl)-methylamino]acetate
CID 91716470
undecyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 91711919
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
octyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715450

Frequently Asked Questions

What is the IUPAC name of decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (CID 91704823) is decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is CCCCCCCCCCOC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is LTLAMNCOPFFPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3S/c1-3-4-5-6-7-8-9-10-13-22-17(20)15-19(2)18(21)16-12-11-14-23-16/h11-12,14H,3-10,13,15H2,1-2H3.
What are the key properties of decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 339.50 g/mol, XLogP of 4.50, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 91704823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).