N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide

C22H26N4O3S — CID 162670028

IUPACN-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)c1ccc(C2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-25(4-2)18-12-10-17(11-13-18)22-26(20(28)15-30-22)24-19(27)14-23-21(29)16-8-6-5-7-9-16/h5-13,22H,3-4,14-15H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyPWOYMHYGUKMRLZ-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.57
Rot. Bonds8

About N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide

N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (PubChem CID 162670028) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
PubChem CID162670028
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide
SMILESCCN(CC)c1ccc(C2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3S/c1-3-25(4-2)18-12-10-17(11-13-18)22-26(20(28)15-30-22)24-19(27)14-23-21(29)16-8-6-5-7-9-16/h5-13,22H,3-4,14-15H2,1-2H3,(H,23,29)(H,24,27)
InChIKeyPWOYMHYGUKMRLZ-UHFFFAOYSA-N
XLogP2.57
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide (CID 162670028) is N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is CCN(CC)c1ccc(C2SCC(=O)N2NC(=O)CNC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is PWOYMHYGUKMRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-3-25(4-2)18-12-10-17(11-13-18)22-26(20(28)15-30-22)24-19(27)14-23-21(29)16-8-6-5-7-9-16/h5-13,22H,3-4,14-15H2,1-2H3,(H,23,29)(H,24,27).
What are the key properties of N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 162670028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).