N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide

C19H24N2OS2 — CID 90644585

IUPACN-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide
SMILESC/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
InChIKeyHEWBOAJFYPRKLD-UHFFFAOYSA-N
MW360.55 g/mol
LogP5.42
Rot. Bonds6

About N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide

N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide (PubChem CID 90644585) has the molecular formula C19H24N2OS2 and a molecular weight of 360.55 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide
PubChem CID90644585
Molecular FormulaC19H24N2OS2
Molecular Weight360.55 g/mol
Exact Mass360.13
IUPAC NameN-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide
SMILESC/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1
InChIInChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21)
InChIKeyHEWBOAJFYPRKLD-UHFFFAOYSA-N
XLogP5.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide?
The IUPAC name of N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide (CID 90644585) is N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide.
What is the SMILES notation for N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide?
The canonical SMILES for N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide is C/N=C(/Nc1ccc(OC)c(CSC2CCCC2)c1)c1cccs1.
What is the InChIKey of N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide?
The InChIKey is HEWBOAJFYPRKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS2/c1-20-19(18-8-5-11-23-18)21-15-9-10-17(22-2)14(12-15)13-24-16-6-3-4-7-16/h5,8-12,16H,3-4,6-7,13H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide?
N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide has a molecular weight of 360.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylsulfanylmethyl)-4-methoxyphenyl]-N'-methylthiophene-2-carboximidamide is sourced from PubChem (CID 90644585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).