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

C15H18ClN2OSSb — CID 162436605

IUPACN-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide
SMILESCN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClNOS.CH4N.CH3.Sb/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12;1-2;;/h2-7,9H,1H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1
InChIKeyQRPUIQXLGCFOPH-UHFFFAOYSA-N
MW431.60 g/mol
LogP2.94
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide (PubChem CID 162436605) has the molecular formula C15H18ClN2OSSb and a molecular weight of 431.60 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide
PubChem CID162436605
Molecular FormulaC15H18ClN2OSSb
Molecular Weight431.60 g/mol
Exact Mass429.99
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide
SMILESCN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C13H11ClNOS.CH4N.CH3.Sb/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12;1-2;;/h2-7,9H,1H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1
InChIKeyQRPUIQXLGCFOPH-UHFFFAOYSA-N
XLogP2.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.60
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[methyl(methylamino)stibanyl]-N-[1-(4-methylphenyl)ethyl]thiophene-2-carboxamide
CID 162436632
5-acetamido-N-[1-(4-chlorophenyl)ethyl]thiophene-2-carboxamide
CID 42928444
N-[(1R)-1-(4-chlorophenyl)ethyl]-5-(methylsulfamoyl)thiophene-2-carboxamide
CID 167529315
N-[1-(4-chlorophenyl)ethyl]-4,5-dimethylthiophene-2-carboxamide
CID 42906351
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
2-[1-(4-chlorophenyl)ethylcarbamoyl]benzoic acid
CID 43399735
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-2-carboxamide
CID 47097752
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide (CID 162436605) is N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide is CN[Sb](C)c1ccc(C(=O)NC(C)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide?
The InChIKey is QRPUIQXLGCFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClNOS.CH4N.CH3.Sb/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12;1-2;;/h2-7,9H,1H3,(H,15,16);2H,1H3;1H3;/q;-1;;+1.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide has a molecular weight of 431.60 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-[methyl(methylamino)stibanyl]thiophene-2-carboxamide is sourced from PubChem (CID 162436605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).