N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

C24H20N4O4S2 — CID 41014858

IUPACN-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccco3)=NC2=O)cc1
InChIInChI=1S/C24H20N4O4S2/c1-14(29)15-6-8-16(9-7-15)25-22(30)13-21-23(31)26-24(34-21)28-18(19-4-2-10-32-19)12-17(27-28)20-5-3-11-33-20/h2-11,18,21H,12-13H2,1H3,(H,25,30)/t18-,21-/m1/s1
InChIKeyXITYIUJDLVCGEG-WIYYLYMNSA-N
MW492.58 g/mol
LogP4.72
Rot. Bonds6

About N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide

N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (PubChem CID 41014858) has the molecular formula C24H20N4O4S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
PubChem CID41014858
Molecular FormulaC24H20N4O4S2
Molecular Weight492.58 g/mol
Exact Mass492.09
IUPAC NameN-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccco3)=NC2=O)cc1
InChIInChI=1S/C24H20N4O4S2/c1-14(29)15-6-8-16(9-7-15)25-22(30)13-21-23(31)26-24(34-21)28-18(19-4-2-10-32-19)12-17(27-28)20-5-3-11-33-20/h2-11,18,21H,12-13H2,1H3,(H,25,30)/t18-,21-/m1/s1
InChIKeyXITYIUJDLVCGEG-WIYYLYMNSA-N
XLogP4.72
TPSA104.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide (CID 41014858) is N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is CC(=O)c1ccc(NC(=O)C[C@H]2SC(N3N=C(c4cccs4)C[C@@H]3c3ccco3)=NC2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
The InChIKey is XITYIUJDLVCGEG-WIYYLYMNSA-N. The full InChI is InChI=1S/C24H20N4O4S2/c1-14(29)15-6-8-16(9-7-15)25-22(30)13-21-23(31)26-24(34-21)28-18(19-4-2-10-32-19)12-17(27-28)20-5-3-11-33-20/h2-11,18,21H,12-13H2,1H3,(H,25,30)/t18-,21-/m1/s1.
What are the key properties of N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide?
N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide has a molecular weight of 492.58 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[(5R)-2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 41014858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).