5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

C16H21N2OSSb — CID 162436632

IUPAC5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(C)cc2)s1
InChIInChI=1S/C14H14NOS.CH4N.CH3.Sb/c1-10-5-7-12(8-6-10)11(2)15-14(16)13-4-3-9-17-13;1-2;;/h3-8,11H,1-2H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1
InChIKeyJMFJLQAAZJWCQC-UHFFFAOYSA-N
MW411.18 g/mol
LogP2.60
Rot. Bonds5

About 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide

5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 162436632) has the molecular formula C16H21N2OSSb and a molecular weight of 411.18 g/mol. Its IUPAC name is 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
PubChem CID162436632
Molecular FormulaC16H21N2OSSb
Molecular Weight411.18 g/mol
Exact Mass410.04
IUPAC Name5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
SMILESCN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(C)cc2)s1
InChIInChI=1S/C14H14NOS.CH4N.CH3.Sb/c1-10-5-7-12(8-6-10)11(2)15-14(16)13-4-3-9-17-13;1-2;;/h3-8,11H,1-2H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1
InChIKeyJMFJLQAAZJWCQC-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide (CID 162436632) is 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide is CN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(C)cc2)s1.
What is the InChIKey of 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is JMFJLQAAZJWCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOS.CH4N.CH3.Sb/c1-10-5-7-12(8-6-10)11(2)15-14(16)13-4-3-9-17-13;1-2;;/h3-8,11H,1-2H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1.
What are the key properties of 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide?
5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 411.18 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 162436632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).