N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C23H21N5O5S — CID 55732736

IUPACN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1
InChIInChI=1S/C23H21N5O5S/c29-20(8-9-28-21(30)11-24-23(28)32)26-16-4-6-17(7-5-16)27-22(31)15-2-1-3-19(10-15)33-12-18-13-34-14-25-18/h1-7,10,13-14H,8-9,11-12H2,(H,24,32)(H,26,29)(H,27,31)
InChIKeyNBSFQHYTQRCQDF-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.85
Rot. Bonds9

About N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55732736) has the molecular formula C23H21N5O5S and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55732736
Molecular FormulaC23H21N5O5S
Molecular Weight479.52 g/mol
Exact Mass479.13
IUPAC NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1
InChIInChI=1S/C23H21N5O5S/c29-20(8-9-28-21(30)11-24-23(28)32)26-16-4-6-17(7-5-16)27-22(31)15-2-1-3-19(10-15)33-12-18-13-34-14-25-18/h1-7,10,13-14H,8-9,11-12H2,(H,24,32)(H,26,29)(H,27,31)
InChIKeyNBSFQHYTQRCQDF-UHFFFAOYSA-N
XLogP2.85
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-thiazol-4-ylmethoxy)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 27007482
N-(4-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27285386
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(trifluoromethyl)benzamide
CID 55732950
N-[3-(1-methylimidazol-2-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87008296
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46568531
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86866369
N-[3-(1-methyltetrazol-5-yl)phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 41360644
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-(4-methyl-3-nitrophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27005757

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55732736) is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)cc1.
What is the InChIKey of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is NBSFQHYTQRCQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O5S/c29-20(8-9-28-21(30)11-24-23(28)32)26-16-4-6-17(7-5-16)27-22(31)15-2-1-3-19(10-15)33-12-18-13-34-14-25-18/h1-7,10,13-14H,8-9,11-12H2,(H,24,32)(H,26,29)(H,27,31).
What are the key properties of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 479.52 g/mol, XLogP of 2.85, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55732736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).