4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride

C15H22Cl2N2O3S — CID 119805573

IUPAC4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1(SC)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-20-13-8-12(17)11(16)7-10(13)14(19)18-9-15(22-2)3-5-21-6-4-15;/h7-8H,3-6,9,17H2,1-2H3,(H,18,19);1H
InChIKeyJHDRVQYPVMTQLB-UHFFFAOYSA-N
MW381.33 g/mol
LogP2.99
Rot. Bonds5

About 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride (PubChem CID 119805573) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride
PubChem CID119805573
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1(SC)CCOCC1.Cl
InChIInChI=1S/C15H21ClN2O3S.ClH/c1-20-13-8-12(17)11(16)7-10(13)14(19)18-9-15(22-2)3-5-21-6-4-15;/h7-8H,3-6,9,17H2,1-2H3,(H,18,19);1H
InChIKeyJHDRVQYPVMTQLB-UHFFFAOYSA-N
XLogP2.99
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 10689599
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4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
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4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
4-amino-5-chloro-2-methoxy-N-[(1-thiomorpholin-4-ylcycloheptyl)methyl]benzamide
CID 165115746
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-5-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxybenzamide;hydrochloride
CID 119756204
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
2-amino-N-[(3-hydroxyoxolan-3-yl)methyl]-4,5-dimethoxybenzamide
CID 106099011
4-amino-5-chloro-2-methoxy-N-[1-(oxan-4-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride (CID 119805573) is 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCC1(SC)CCOCC1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride?
The InChIKey is JHDRVQYPVMTQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S.ClH/c1-20-13-8-12(17)11(16)7-10(13)14(19)18-9-15(22-2)3-5-21-6-4-15;/h7-8H,3-6,9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride has a molecular weight of 381.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[(4-methylsulfanyloxan-4-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119805573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).