N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

C19H23N3O4S — CID 119420036

IUPACN-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1N
InChIInChI=1S/C19H23N3O4S/c1-26-18-6-5-16(12-17(18)20)21-19(23)15-4-2-3-14(11-15)13-22-7-9-27(24,25)10-8-22/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyLBJCASIWIFVJOG-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.76
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide

N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (PubChem CID 119420036) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
PubChem CID119420036
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
SMILESCOc1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1N
InChIInChI=1S/C19H23N3O4S/c1-26-18-6-5-16(12-17(18)20)21-19(23)15-4-2-3-14(11-15)13-22-7-9-27(24,25)10-8-22/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23)
InChIKeyLBJCASIWIFVJOG-UHFFFAOYSA-N
XLogP1.76
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 146131459
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]benzamide
CID 167946728
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814
N-(3-amino-4-methoxyphenyl)-3-iodobenzamide
CID 43599948
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]benzamide
CID 146127070
N-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-4-methoxybenzamide
CID 2811596
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[3-(5-oxopyrrolidin-3-yl)phenyl]benzamide
CID 146129139
N-[4-(5-cyclopropyl-1,4-dimethylpyrazol-3-yl)phenyl]-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide
CID 169121959
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 146148767
1-N-(3-amino-4-methoxyphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide;hydrochloride
CID 119419491

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide (CID 119420036) is N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is COc1ccc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
The InChIKey is LBJCASIWIFVJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-18-6-5-16(12-17(18)20)21-19(23)15-4-2-3-14(11-15)13-22-7-9-27(24,25)10-8-22/h2-6,11-12H,7-10,13,20H2,1H3,(H,21,23).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide?
N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide has a molecular weight of 389.48 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]benzamide is sourced from PubChem (CID 119420036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).