4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

C17H20N2OS — CID 106791895

IUPAC4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H20N2OS/c1-11-4-6-14(8-12(11)2)21-10-13-5-7-15(17(18)19)16(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyULZKLXNIARZGGM-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.89
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide

4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (PubChem CID 106791895) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
PubChem CID106791895
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CSc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C17H20N2OS/c1-11-4-6-14(8-12(11)2)21-10-13-5-7-15(17(18)19)16(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19)
InChIKeyULZKLXNIARZGGM-UHFFFAOYSA-N
XLogP3.89
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791862
4-[(4-bromophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 106791920
2-methoxy-4-(methylsulfanylmethyl)benzenecarboximidamide
CID 106791936
5-[(3,4-difluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65339872
5-[(2,5-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340490
4-benzylsulfanyl-2-methylbenzenecarboximidamide
CID 81276349
2-methoxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanylmethyl]benzenecarboximidamide
CID 106792003
4-[(2,4-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791193
4-[(2,6-dimethylphenoxy)methyl]-2-methoxybenzenecarboximidamide
CID 106791185
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
2-methoxy-5-(propylsulfanylmethyl)benzenecarboximidamide
CID 65339779

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide (CID 106791895) is 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(CSc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
The InChIKey is ULZKLXNIARZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-4-6-14(8-12(11)2)21-10-13-5-7-15(17(18)19)16(9-13)20-3/h4-9H,10H2,1-3H3,(H3,18,19).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide?
4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide has a molecular weight of 300.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide is sourced from PubChem (CID 106791895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).