N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide

C25H22N4O3S2 — CID 29207020

IUPACN-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide
SMILESCOc1cccc(NC(=O)C[C@@H]2SC(N3N=C(c4cccs4)C[C@H]3c3ccccc3)=NC2=O)c1
InChIInChI=1S/C25H22N4O3S2/c1-32-18-10-5-9-17(13-18)26-23(30)15-22-24(31)27-25(34-22)29-20(16-7-3-2-4-8-16)14-19(28-29)21-11-6-12-33-21/h2-13,20,22H,14-15H2,1H3,(H,26,30)/t20-,22-/m0/s1
InChIKeyBHXXBRWBARGHGF-UNMCSNQZSA-N
MW490.61 g/mol
LogP4.93
Rot. Bonds6

About N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide

N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide (PubChem CID 29207020) has the molecular formula C25H22N4O3S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide
PubChem CID29207020
Molecular FormulaC25H22N4O3S2
Molecular Weight490.61 g/mol
Exact Mass490.11
IUPAC NameN-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide
SMILESCOc1cccc(NC(=O)C[C@@H]2SC(N3N=C(c4cccs4)C[C@H]3c3ccccc3)=NC2=O)c1
InChIInChI=1S/C25H22N4O3S2/c1-32-18-10-5-9-17(13-18)26-23(30)15-22-24(31)27-25(34-22)29-20(16-7-3-2-4-8-16)14-19(28-29)21-11-6-12-33-21/h2-13,20,22H,14-15H2,1H3,(H,26,30)/t20-,22-/m0/s1
InChIKeyBHXXBRWBARGHGF-UNMCSNQZSA-N
XLogP4.93
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxyphenyl)-2-[(5R)-2-[(3S)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984700
2-[(5R)-2-[(3R)-3,5-bis(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 28984556
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98269974
2-[(5S)-2-[(3S)-3-(4-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 28984597
2-[(5S)-2-[(3R)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270311
2-[(5R)-2-[(3S)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270312
2-[(5S)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270152
2-[(5R)-2-[(3S)-3-(4-chlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methoxyphenyl)acetamide
CID 98270151
N-(4-methoxyphenyl)-2-[(5R)-2-[(3S)-5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 98270852
N-(3,4-dimethylphenyl)-2-[(5S)-2-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 28984715
2-[(5S)-2-[(3S)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]-N-(3-methylphenyl)acetamide
CID 98270612
N-(4-fluorophenyl)-2-[2-[5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-yl]acetamide
CID 22548035

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide (CID 29207020) is N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide is COc1cccc(NC(=O)C[C@@H]2SC(N3N=C(c4cccs4)C[C@H]3c3ccccc3)=NC2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide?
The InChIKey is BHXXBRWBARGHGF-UNMCSNQZSA-N. The full InChI is InChI=1S/C25H22N4O3S2/c1-32-18-10-5-9-17(13-18)26-23(30)15-22-24(31)27-25(34-22)29-20(16-7-3-2-4-8-16)14-19(28-29)21-11-6-12-33-21/h2-13,20,22H,14-15H2,1H3,(H,26,30)/t20-,22-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide?
N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide has a molecular weight of 490.61 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[(5S)-4-oxo-2-[(3S)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 29207020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).