N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

C25H27N5O4S — CID 46541094

IUPACN-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C25H27N5O4S/c1-16-8-3-4-11-19(16)23(33)29-28-22(32)17-9-7-10-18(14-17)26-21(31)15-20-24(34)27-25(35-20)30-12-5-2-6-13-30/h3-4,7-11,14,20H,2,5-6,12-13,15H2,1H3,(H,26,31)(H,28,32)(H,29,33)
InChIKeyAUANHJXUARFEAM-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.88
Rot. Bonds5

About N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide

N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 46541094) has the molecular formula C25H27N5O4S and a molecular weight of 493.59 g/mol. Its IUPAC name is N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID46541094
Molecular FormulaC25H27N5O4S
Molecular Weight493.59 g/mol
Exact Mass493.18
IUPAC NameN-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C25H27N5O4S/c1-16-8-3-4-11-19(16)23(33)29-28-22(32)17-9-7-10-18(14-17)26-21(31)15-20-24(34)27-25(35-20)30-12-5-2-6-13-30/h3-4,7-11,14,20H,2,5-6,12-13,15H2,1H3,(H,26,31)(H,28,32)(H,29,33)
InChIKeyAUANHJXUARFEAM-UHFFFAOYSA-N
XLogP2.88
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-[(pyrimidin-2-ylamino)carbamoyl]phenyl]acetamide
CID 55565452
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874464
N-[3-(azetidine-1-carbonyl)phenyl]-2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 7874466
N-cycloheptyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41203800
N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46601666
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-prop-2-enylbenzamide
CID 46531753
N-(4-chlorophenyl)-3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 40972701
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2-phenylpropyl)benzamide
CID 46531740
N-[3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetamide
CID 40847227

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide (CID 46541094) is N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is Cc1ccccc1C(=O)NNC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is AUANHJXUARFEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S/c1-16-8-3-4-11-19(16)23(33)29-28-22(32)17-9-7-10-18(14-17)26-21(31)15-20-24(34)27-25(35-20)30-12-5-2-6-13-30/h3-4,7-11,14,20H,2,5-6,12-13,15H2,1H3,(H,26,31)(H,28,32)(H,29,33).
What are the key properties of N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide?
N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 493.59 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 46541094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).