3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

C18H27N3O4S — CID 47019703

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-18(2,20-8-10-25-11-9-20)14-19-17(22)15-5-3-6-16(13-15)21-7-4-12-26(21,23)24/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,22)
InChIKeyWXFHWLIWHQXFSI-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.07
Rot. Bonds5

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (PubChem CID 47019703) has the molecular formula C18H27N3O4S and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
PubChem CID47019703
Molecular FormulaC18H27N3O4S
Molecular Weight381.50 g/mol
Exact Mass381.17
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)N1CCOCC1
InChIInChI=1S/C18H27N3O4S/c1-18(2,20-8-10-25-11-9-20)14-19-17(22)15-5-3-6-16(13-15)21-7-4-12-26(21,23)24/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,22)
InChIKeyWXFHWLIWHQXFSI-UHFFFAOYSA-N
XLogP1.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(chloromethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 61251148
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[3-(methylamino)propyl]benzamide
CID 119433279
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
N-(3-aminopropyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide;hydrochloride
CID 119408150
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
3-(1,1-dioxothiazinan-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 7685970
2-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241903
3-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 125443212
N-[2-(benzylamino)-2-oxoethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55676305
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide (CID 47019703) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is CC(C)(CNC(=O)c1cccc(N2CCCS2(=O)=O)c1)N1CCOCC1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
The InChIKey is WXFHWLIWHQXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S/c1-18(2,20-8-10-25-11-9-20)14-19-17(22)15-5-3-6-16(13-15)21-7-4-12-26(21,23)24/h3,5-6,13H,4,7-12,14H2,1-2H3,(H,19,22).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide has a molecular weight of 381.50 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 47019703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).