N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide

C25H26N4O4S — CID 90130522

IUPACN-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H26N4O4S/c1-18-16-22(29-15-7-14-28(2)34(29,32)33)12-13-23(18)25(31)27-21-11-6-10-20(17-21)26-24(30)19-8-4-3-5-9-19/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDLNBHBQGYIUGLE-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.89
Rot. Bonds5

About N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide

N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide (PubChem CID 90130522) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide.

Molecular Properties

Compound NameN-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
PubChem CID90130522
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
SMILESCc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C25H26N4O4S/c1-18-16-22(29-15-7-14-28(2)34(29,32)33)12-13-23(18)25(31)27-21-11-6-10-20(17-21)26-24(30)19-8-4-3-5-9-19/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyDLNBHBQGYIUGLE-UHFFFAOYSA-N
XLogP3.89
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamido-4-methylphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzamide
CID 90130016
N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazetidin-2-yl)-2-methylbenzamide
CID 90129924
N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide
CID 90130519
2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 90129900
N-(3-benzamido-4-chlorophenyl)-4-(4,4-dioxo-1,4,3-oxathiazinan-3-yl)-2-methylbenzamide
CID 90130358
2-fluoro-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide
CID 118463198
N-[1-(3-benzamidophenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55693559
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-2-methyl-4-(5-methyl-1,1-dioxo-1,2,5-thiadiazolidin-2-yl)benzamide
CID 90130505
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
4-tert-butyl-N-[3-(1,1-dioxothiazinan-2-yl)phenyl]benzamide
CID 112505496
N-(3-chlorophenyl)-5-(1,1-dioxothiazinan-2-yl)-2-methylbenzamide
CID 151521075

Frequently Asked Questions

What is the IUPAC name of N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The IUPAC name of N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide (CID 90130522) is N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide.
What is the SMILES notation for N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The canonical SMILES for N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide is Cc1cc(N2CCCN(C)S2(=O)=O)ccc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
The InChIKey is DLNBHBQGYIUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-18-16-22(29-15-7-14-28(2)34(29,32)33)12-13-23(18)25(31)27-21-11-6-10-20(17-21)26-24(30)19-8-4-3-5-9-19/h3-6,8-13,16-17H,7,14-15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide?
N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide has a molecular weight of 478.57 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzamidophenyl)-2-methyl-4-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)benzamide is sourced from PubChem (CID 90130522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).