4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide

C19H23ClN2O2S — CID 119801463

IUPAC4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cccc(CSC(C)C)c1C
InChIInChI=1S/C19H23ClN2O2S/c1-11(2)25-10-13-6-5-7-17(12(13)3)22-19(23)14-8-15(20)16(21)9-18(14)24-4/h5-9,11H,10,21H2,1-4H3,(H,22,23)
InChIKeyZCKPMKHJYFDDOZ-UHFFFAOYSA-N
MW378.93 g/mol
LogP5.13
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide

4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide (PubChem CID 119801463) has the molecular formula C19H23ClN2O2S and a molecular weight of 378.93 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
PubChem CID119801463
Molecular FormulaC19H23ClN2O2S
Molecular Weight378.93 g/mol
Exact Mass378.12
IUPAC Name4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)Nc1cccc(CSC(C)C)c1C
InChIInChI=1S/C19H23ClN2O2S/c1-11(2)25-10-13-6-5-7-17(12(13)3)22-19(23)14-8-15(20)16(21)9-18(14)24-4/h5-9,11H,10,21H2,1-4H3,(H,22,23)
InChIKeyZCKPMKHJYFDDOZ-UHFFFAOYSA-N
XLogP5.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.93
LogP ≤ 55.13
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

5-amino-2-methyl-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide;hydrochloride
CID 120635670
3-amino-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide
CID 119801447
4-amino-N-(2-tert-butylphenyl)-5-chloro-2-methoxybenzamide
CID 119399937
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570624
[2-(2,3-dimethylanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570627
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide;hydrochloride
CID 119703658
N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]pyrazine-2-carboxamide
CID 71999234
4-amino-5-chloro-2-methoxy-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 119780348
4-amino-5-chloro-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methoxybenzamide;dihydrochloride
CID 119895304
4-amino-5-chloro-2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide;hydrochloride
CID 18687422
4-amino-5-chloro-2-methoxy-N-(3-methylpentan-2-yl)benzamide
CID 119744569

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide (CID 119801463) is 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)Nc1cccc(CSC(C)C)c1C.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide?
The InChIKey is ZCKPMKHJYFDDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2S/c1-11(2)25-10-13-6-5-7-17(12(13)3)22-19(23)14-8-15(20)16(21)9-18(14)24-4/h5-9,11H,10,21H2,1-4H3,(H,22,23).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide has a molecular weight of 378.93 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[2-methyl-3-(propan-2-ylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 119801463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).