N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C24H22N4O4S — CID 55434173

IUPACN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1
InChIInChI=1S/C24H22N4O4S/c1-14(25-15(2)29)16-6-8-17(9-7-16)20-13-33-24(26-20)27-23(32)18-4-3-5-19(12-18)28-21(30)10-11-22(28)31/h3-9,12-14H,10-11H2,1-2H3,(H,25,29)(H,26,27,32)
InChIKeySCZNNQYDADSRFJ-UHFFFAOYSA-N
MW462.53 g/mol
LogP3.91
Rot. Bonds6

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 55434173) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID55434173
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC NameN-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1
InChIInChI=1S/C24H22N4O4S/c1-14(25-15(2)29)16-6-8-17(9-7-16)20-13-33-24(26-20)27-23(32)18-4-3-5-19(12-18)28-21(30)10-11-22(28)31/h3-9,12-14H,10-11H2,1-2H3,(H,25,29)(H,26,27,32)
InChIKeySCZNNQYDADSRFJ-UHFFFAOYSA-N
XLogP3.91
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(tetrazol-1-yl)benzamide
CID 55434284
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55434408
1-N,3-N-bis[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzene-1,3-dicarboxamide
CID 3495731
N-[4-[4-[(1S)-1-acetamidoethyl]phenyl]-1,3-thiazol-2-yl]-4-methylsulfanylbenzamide
CID 42375876
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 46668786
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-chloropyridine-3-carboxamide
CID 55435009
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 41190099
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 17435792
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 43000681
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-phenoxypyridine-3-carboxamide
CID 55434069
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55791811
3-methylsulfonyl-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 7565619

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 55434173) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1.
What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is SCZNNQYDADSRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-14(25-15(2)29)16-6-8-17(9-7-16)20-13-33-24(26-20)27-23(32)18-4-3-5-19(12-18)28-21(30)10-11-22(28)31/h3-9,12-14H,10-11H2,1-2H3,(H,25,29)(H,26,27,32).
What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 462.53 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 55434173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).