N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide

C19H22N2O3S — CID 7424221

IUPACN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-25(21,23)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyHWKXRBSIBNRSDK-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.49
Rot. Bonds3

About N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide

N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide (PubChem CID 7424221) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
PubChem CID7424221
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1
InChIInChI=1S/C19H22N2O3S/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-25(21,23)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22)
InChIKeyHWKXRBSIBNRSDK-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3-methyl-4-nitrobenzamide
CID 7584549
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4,5-triethoxybenzamide
CID 16831289
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,4-difluorobenzamide
CID 7584559
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(3,4-difluorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685666
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(3,4-dimethoxyphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685697
N-(2-chloro-4,6-dimethylphenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 110295534
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 55433938
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43048357
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide (CID 7424221) is N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCCS3(=O)=O)cc2)c1.
What is the InChIKey of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide?
The InChIKey is HWKXRBSIBNRSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-14-11-15(2)13-16(12-14)19(22)20-17-5-7-18(8-6-17)21-9-3-4-10-25(21,23)24/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide?
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 7424221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).