N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C24H26N4O4S — CID 2999742

IUPACN-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-15-5-10-19(32-2)18(13-15)26-22(30)16-6-8-17(9-7-16)25-21(29)14-20-23(31)27-24(33-20)28-11-3-4-12-28/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDJRAPNAOJRTHNX-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.68
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 2999742) has the molecular formula C24H26N4O4S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID2999742
Molecular FormulaC24H26N4O4S
Molecular Weight466.56 g/mol
Exact Mass466.17
IUPAC NameN-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1
InChIInChI=1S/C24H26N4O4S/c1-15-5-10-19(32-2)18(13-15)26-22(30)16-6-8-17(9-7-16)25-21(29)14-20-23(31)27-24(33-20)28-11-3-4-12-28/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyDJRAPNAOJRTHNX-UHFFFAOYSA-N
XLogP3.68
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 2999742) is N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is DJRAPNAOJRTHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S/c1-15-5-10-19(32-2)18(13-15)26-22(30)16-6-8-17(9-7-16)25-21(29)14-20-23(31)27-24(33-20)28-11-3-4-12-28/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 466.56 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 2999742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).