N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide

C15H15ClN2O2S — CID 61379591

IUPACN-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1N
InChIInChI=1S/C15H15ClN2O2S/c1-20-14-6-3-9(7-13(14)17)18-15(19)11-8-10(21-2)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyUKLRTXPHKNPKGR-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.90
Rot. Bonds4

About N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide

N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide (PubChem CID 61379591) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
PubChem CID61379591
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide
SMILESCOc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1N
InChIInChI=1S/C15H15ClN2O2S/c1-20-14-6-3-9(7-13(14)17)18-15(19)11-8-10(21-2)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyUKLRTXPHKNPKGR-UHFFFAOYSA-N
XLogP3.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(3-amino-4-methoxyphenyl)-5-(tert-butylcarbamoylamino)-2-chlorobenzamide
CID 119419296
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
3-amino-N-(4-chloro-3-fluorophenyl)-4-methoxybenzamide
CID 61466446
N-(3-amino-4-chlorophenyl)-4-methylsulfanylbenzamide
CID 78984406
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
N-(3-amino-4-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103805146
N-(3-acetylphenyl)-2-chloro-5-methylsulfanylbenzamide
CID 34829216
N-(3,4-dimethylphenyl)-2-methoxy-4-methylsulfanylbenzamide
CID 842703

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide (CID 61379591) is N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide is COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide?
The InChIKey is UKLRTXPHKNPKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-20-14-6-3-9(7-13(14)17)18-15(19)11-8-10(21-2)4-5-12(11)16/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide?
N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide has a molecular weight of 322.82 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-chloro-5-methylsulfanylbenzamide is sourced from PubChem (CID 61379591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).