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

C19H26ClN3O5S — CID 21007340

IUPAC2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)(C)N3CCOCC3)c(Cl)c2)C1=O
InChIInChI=1S/C19H26ClN3O5S/c1-13-11-29(26,27)23(18(13)25)14-4-5-15(16(20)10-14)17(24)21-12-19(2,3)22-6-8-28-9-7-22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,21,24)
InChIKeyPPVJCVPQQYDHID-UHFFFAOYSA-N
MW443.95 g/mol
LogP1.49
Rot. Bonds5

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

2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 21007340) has the molecular formula C19H26ClN3O5S and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID21007340
Molecular FormulaC19H26ClN3O5S
Molecular Weight443.95 g/mol
Exact Mass443.13
IUPAC Name2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)(C)N3CCOCC3)c(Cl)c2)C1=O
InChIInChI=1S/C19H26ClN3O5S/c1-13-11-29(26,27)23(18(13)25)14-4-5-15(16(20)10-14)17(24)21-12-19(2,3)22-6-8-28-9-7-22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,21,24)
InChIKeyPPVJCVPQQYDHID-UHFFFAOYSA-N
XLogP1.49
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 21007340) is 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCC(C)(C)N3CCOCC3)c(Cl)c2)C1=O.
What is the InChIKey of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is PPVJCVPQQYDHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5S/c1-13-11-29(26,27)23(18(13)25)14-4-5-15(16(20)10-14)17(24)21-12-19(2,3)22-6-8-28-9-7-22/h4-5,10,13H,6-9,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 443.95 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 21007340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).