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

C14H21NO3S — CID 91704818

IUPAChexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-6-9-18-13(16)11-15(2)14(17)12-8-7-10-19-12/h7-8,10H,3-6,9,11H2,1-2H3
InChIKeyKFTABTAOBFCDPO-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.94
Rot. Bonds8

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

hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (PubChem CID 91704818) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namehexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
PubChem CID91704818
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Namehexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
SMILESCCCCCCOC(=O)CN(C)C(=O)c1cccs1
InChIInChI=1S/C14H21NO3S/c1-3-4-5-6-9-18-13(16)11-15(2)14(17)12-8-7-10-19-12/h7-8,10H,3-6,9,11H2,1-2H3
InChIKeyKFTABTAOBFCDPO-UHFFFAOYSA-N
XLogP2.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.94
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

decyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704823
4-methylpentyl 2-[methyl(thiophene-2-carbonyl)amino]acetate
CID 91704817
heptyl thiophene-2-carboxylate
CID 574115
octyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710670
undecyl 2-[methyl-(3-methylbenzoyl)amino]acetate
CID 91710673
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
hexyl 2-[(3-methoxybenzoyl)-methylamino]acetate
CID 91715049

Frequently Asked Questions

What is the IUPAC name of hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The IUPAC name of hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate (CID 91704818) is hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate.
What is the SMILES notation for hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The canonical SMILES for hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is CCCCCCOC(=O)CN(C)C(=O)c1cccs1.
What is the InChIKey of hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
The InChIKey is KFTABTAOBFCDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-4-5-6-9-18-13(16)11-15(2)14(17)12-8-7-10-19-12/h7-8,10H,3-6,9,11H2,1-2H3.
What are the key properties of hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate?
hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate has a molecular weight of 283.39 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 2-[methyl(thiophene-2-carbonyl)amino]acetate is sourced from PubChem (CID 91704818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).