4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

C18H26N2O5S — CID 110310247

IUPAC4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(CO)CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H26N2O5S/c21-14-18(7-10-25-11-8-18)13-19-17(22)15-3-5-16(6-4-15)20-9-1-2-12-26(20,23)24/h3-6,21H,1-2,7-14H2,(H,19,22)
InChIKeyYPZVUHPZOFKDGL-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.14
Rot. Bonds5

About 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide

4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (PubChem CID 110310247) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
PubChem CID110310247
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide
SMILESO=C(NCC1(CO)CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C18H26N2O5S/c21-14-18(7-10-25-11-8-18)13-19-17(22)15-3-5-16(6-4-15)20-9-1-2-12-26(20,23)24/h3-6,21H,1-2,7-14H2,(H,19,22)
InChIKeyYPZVUHPZOFKDGL-UHFFFAOYSA-N
XLogP1.14
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110310139
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 55658448
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 110416759
6-[[4-(hydroxymethyl)oxan-4-yl]methylcarbamoyl]naphthalene-2-carboxylic acid
CID 167752625
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzamide
CID 31960352
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-morpholin-4-ylmethanone
CID 18105399
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide (CID 110310247) is 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is O=C(NCC1(CO)CCOCC1)c1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
The InChIKey is YPZVUHPZOFKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c21-14-18(7-10-25-11-8-18)13-19-17(22)15-3-5-16(6-4-15)20-9-1-2-12-26(20,23)24/h3-6,21H,1-2,7-14H2,(H,19,22).
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide?
4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide has a molecular weight of 382.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]benzamide is sourced from PubChem (CID 110310247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).