4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide

C22H26N4O5S — CID 21007012

IUPAC4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(c3cccnc3)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H26N4O5S/c1-16-15-32(29,30)26(22(16)28)19-6-4-17(5-7-19)21(27)24-14-20(18-3-2-8-23-13-18)25-9-11-31-12-10-25/h2-8,13,16,20H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyKYBXMMBSOPZUOM-UHFFFAOYSA-N
MW458.54 g/mol
LogP1.20
Rot. Bonds6

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

4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (PubChem CID 21007012) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.

Molecular Properties

Compound Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
PubChem CID21007012
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
SMILESCC1CS(=O)(=O)N(c2ccc(C(=O)NCC(c3cccnc3)N3CCOCC3)cc2)C1=O
InChIInChI=1S/C22H26N4O5S/c1-16-15-32(29,30)26(22(16)28)19-6-4-17(5-7-19)21(27)24-14-20(18-3-2-8-23-13-18)25-9-11-31-12-10-25/h2-8,13,16,20H,9-12,14-15H2,1H3,(H,24,27)
InChIKeyKYBXMMBSOPZUOM-UHFFFAOYSA-N
XLogP1.20
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-piperidin-1-ylbenzamide
CID 92626765
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
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4-bromo-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 112506372
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-[(2S)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 8010898
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
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4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
CID 99970306
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 97114576
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-[(2S)-2-(4-ethylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-methoxybenzamide
CID 92680834

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The IUPAC name of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide (CID 21007012) is 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide.
What is the SMILES notation for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The canonical SMILES for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is CC1CS(=O)(=O)N(c2ccc(C(=O)NCC(c3cccnc3)N3CCOCC3)cc2)C1=O.
What is the InChIKey of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
The InChIKey is KYBXMMBSOPZUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-16-15-32(29,30)26(22(16)28)19-6-4-17(5-7-19)21(27)24-14-20(18-3-2-8-23-13-18)25-9-11-31-12-10-25/h2-8,13,16,20H,9-12,14-15H2,1H3,(H,24,27).
What are the key properties of 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide?
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide has a molecular weight of 458.54 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide is sourced from PubChem (CID 21007012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).