N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

C25H25N5O4S — CID 55520291

IUPACN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H25N5O4S/c31-21(14-20-23(33)28-25(35-20)29-12-4-1-5-13-29)26-17-10-8-16(9-11-17)24(34)30-15-22(32)27-18-6-2-3-7-19(18)30/h2-3,6-11,20H,1,4-5,12-15H2,(H,26,31)(H,27,32)
InChIKeyYRNXDCFCLOPTOT-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.10
Rot. Bonds4

About N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 55520291) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID55520291
Molecular FormulaC25H25N5O4S
Molecular Weight491.57 g/mol
Exact Mass491.16
IUPAC NameN-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1
InChIInChI=1S/C25H25N5O4S/c31-21(14-20-23(33)28-25(35-20)29-12-4-1-5-13-29)26-17-10-8-16(9-11-17)24(34)30-15-22(32)27-18-6-2-3-7-19(18)30/h2-3,6-11,20H,1,4-5,12-15H2,(H,26,31)(H,27,32)
InChIKeyYRNXDCFCLOPTOT-UHFFFAOYSA-N
XLogP3.10
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7612301
N-methyl-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 7612288
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55984821
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 16573575
4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N,N-di(propan-2-yl)benzamide
CID 56530406
N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55495421
N-ethyl-4-[[2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 24982889
2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)-N-[4-[[(2-phenylacetyl)amino]carbamoyl]phenyl]acetamide
CID 46650936
N-(2-methylsulfanylphenyl)-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55528966
N-naphthalen-2-yl-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 24587710
4-[[2-[(5R)-4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N,N-dipropylbenzamide
CID 39963574
N-[(2R)-butan-2-yl]-4-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 9441013

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 55520291) is N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is YRNXDCFCLOPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c31-21(14-20-23(33)28-25(35-20)29-12-4-1-5-13-29)26-17-10-8-16(9-11-17)24(34)30-15-22(32)27-18-6-2-3-7-19(18)30/h2-3,6-11,20H,1,4-5,12-15H2,(H,26,31)(H,27,32).
What are the key properties of N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 491.57 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 55520291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).