3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

C20H24N2O4S — CID 7686029

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-26-19-10-3-2-7-16(19)11-12-21-20(23)17-8-6-9-18(15-17)22-13-4-5-14-27(22,24)25/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,21,23)
InChIKeyNMJJLXBELSQFNZ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.60
Rot. Bonds6

About 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide

3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 7686029) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID7686029
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccccc1CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C20H24N2O4S/c1-26-19-10-3-2-7-16(19)11-12-21-20(23)17-8-6-9-18(15-17)22-13-4-5-14-27(22,24)25/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,21,23)
InChIKeyNMJJLXBELSQFNZ-UHFFFAOYSA-N
XLogP2.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55523206
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25493244
3-(1,1-dioxothiazinan-2-yl)-N-(2-piperidin-1-ylpropyl)benzamide
CID 110301682
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
N-(2,4-dimethoxyphenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686036
4-[[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]methyl]-2-methoxybenzoic acid
CID 166181534
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
N-[2-(2-methoxyphenyl)ethyl]-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226480

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide (CID 7686029) is 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is COc1ccccc1CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is NMJJLXBELSQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-26-19-10-3-2-7-16(19)11-12-21-20(23)17-8-6-9-18(15-17)22-13-4-5-14-27(22,24)25/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,21,23).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide?
3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 7686029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).