N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide

C24H22ClN3O5S — CID 90130358

IUPACN-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
SMILESCc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClN3O5S/c1-16-13-19(28-15-33-11-12-34(28,31)32)8-9-20(16)24(30)26-18-7-10-21(25)22(14-18)27-23(29)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyJIURSPDIEOVGOL-UHFFFAOYSA-N
MW499.98 g/mol
LogP4.28
Rot. Bonds5

About N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide

N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide (PubChem CID 90130358) has the molecular formula C24H22ClN3O5S and a molecular weight of 499.98 g/mol. Its IUPAC name is N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
PubChem CID90130358
Molecular FormulaC24H22ClN3O5S
Molecular Weight499.98 g/mol
Exact Mass499.10
IUPAC NameN-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
SMILESCc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H22ClN3O5S/c1-16-13-19(28-15-33-11-12-34(28,31)32)8-9-20(16)24(30)26-18-7-10-21(25)22(14-18)27-23(29)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,26,30)(H,27,29)
InChIKeyJIURSPDIEOVGOL-UHFFFAOYSA-N
XLogP4.28
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.98
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130329
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide;2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide;3-chloro-N-[2-chloro-5-[[4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzoyl]amino]phenyl]benzamide;N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 160823323
N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methyl-N-(1-methylindol-6-yl)benzamide
CID 90130247
3-chloro-N-[2-chloro-5-[[4-(1,1-dioxothiazetidin-2-yl)benzoyl]amino]phenyl]benzamide
CID 90130427
N-[4-chloro-3-(5-fluoro-2-pyridinyl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 90130452
4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzamide
CID 90129985
N-[2-chloro-5-[[4-(3,3-dioxo-1,3,4-oxathiazinan-4-yl)benzoyl]amino]phenyl]-3-fluorobenzamide
CID 118463080
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)benzamide
CID 118463107
N-(3-benzamido-4-chlorophenyl)-6-chloro-2-methylpyridine-3-carboxamide
CID 16730950
2-chloro-N-[4-chloro-3-[(2-chlorobenzoyl)amino]phenyl]-4-(3,3-dihydroxy-1,3,4-oxathiazinan-4-yl)benzamide
CID 90117967

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide?
The IUPAC name of N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide (CID 90130358) is N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide.
What is the SMILES notation for N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide?
The canonical SMILES for N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide is Cc1cc(N2COCCS2(=O)=O)ccc1C(=O)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide?
The InChIKey is JIURSPDIEOVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O5S/c1-16-13-19(28-15-33-11-12-34(28,31)32)8-9-20(16)24(30)26-18-7-10-21(25)22(14-18)27-23(29)17-5-3-2-4-6-17/h2-10,13-14H,11-12,15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide?
N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide has a molecular weight of 499.98 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide is sourced from PubChem (CID 90130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).