N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide

C23H20ClN5O4S — CID 55732643

IUPACN-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H20ClN5O4S/c24-18-4-2-1-3-17(18)22-28-16(13-34-22)11-20(31)27-15-7-5-14(6-8-15)26-19(30)9-10-29-21(32)12-25-23(29)33/h1-8,13H,9-12H2,(H,25,33)(H,26,30)(H,27,31)
InChIKeyBGHPOZCDSNUUES-UHFFFAOYSA-N
MW497.96 g/mol
LogP3.53
Rot. Bonds8

About N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide

N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide (PubChem CID 55732643) has the molecular formula C23H20ClN5O4S and a molecular weight of 497.96 g/mol. Its IUPAC name is N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
PubChem CID55732643
Molecular FormulaC23H20ClN5O4S
Molecular Weight497.96 g/mol
Exact Mass497.09
IUPAC NameN-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H20ClN5O4S/c24-18-4-2-1-3-17(18)22-28-16(13-34-22)11-20(31)27-15-7-5-14(6-8-15)26-19(30)9-10-29-21(32)12-25-23(29)33/h1-8,13H,9-12H2,(H,25,33)(H,26,30)(H,27,31)
InChIKeyBGHPOZCDSNUUES-UHFFFAOYSA-N
XLogP3.53
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 31013767
N-tert-butyl-4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 46539791
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 60613183
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78823470
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-fluorophenyl)acetamide
CID 31013739
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740
1-[(2-chlorophenyl)methyl]-N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]pyrazole-4-carboxamide
CID 55963403
2-[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluorophenyl)acetamide
CID 8744734
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7668155
2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 9399292
N-[4-[[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide
CID 55964678
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide?
The IUPAC name of N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide (CID 55732643) is N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide.
What is the SMILES notation for N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide?
The canonical SMILES for N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide?
The InChIKey is BGHPOZCDSNUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O4S/c24-18-4-2-1-3-17(18)22-28-16(13-34-22)11-20(31)27-15-7-5-14(6-8-15)26-19(30)9-10-29-21(32)12-25-23(29)33/h1-8,13H,9-12H2,(H,25,33)(H,26,30)(H,27,31).
What are the key properties of N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide?
N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide has a molecular weight of 497.96 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-3-(2,5-dioxoimidazolidin-1-yl)propanamide is sourced from PubChem (CID 55732643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).