N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide

C23H24N2O2S — CID 157226633

IUPACN-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide
SMILESCCCC[C@H](NC(=O)c1ccccc1)C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H24N2O2S/c1-2-3-14-19(25-23(27)18-12-8-5-9-13-18)21(26)15-22-24-20(16-28-22)17-10-6-4-7-11-17/h4-13,16,19H,2-3,14-15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyATPOAXBCLJYNQM-IBGZPJMESA-N
MW392.52 g/mol
LogP4.91
Rot. Bonds9

About N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide

N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide (PubChem CID 157226633) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide
PubChem CID157226633
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide
SMILESCCCC[C@H](NC(=O)c1ccccc1)C(=O)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C23H24N2O2S/c1-2-3-14-19(25-23(27)18-12-8-5-9-13-18)21(26)15-22-24-20(16-28-22)17-10-6-4-7-11-17/h4-13,16,19H,2-3,14-15H2,1H3,(H,25,27)/t19-/m0/s1
InChIKeyATPOAXBCLJYNQM-IBGZPJMESA-N
XLogP4.91
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(3S)-5-methylsulfanyl-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pentan-3-yl]benzamide;sulfane
CID 158101924
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751
(3S)-3-amino-5-methylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one;3-methylbenzoic acid;3-methyl-N-[(3S)-5-methylsulfanyl-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pentan-3-yl]benzamide
CID 158586673
N-[(2S)-1-amino-3-oxo-4-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]-3-(dimethylsulfamoyl)benzamide;sulfane
CID 161463731
4-methoxy-N-[(3S)-5-methylsulfanyl-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)pentan-3-yl]-3-methylsulfonylbenzamide
CID 158226955
N-[(Z)-hexan-2-ylideneamino]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 8881024
4-amino-N-[(3S)-5-methylsulfanyl-2-oxo-1-[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]pentan-3-yl]benzamide
CID 161010855
N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide
CID 162417578
N-[(2S)-4-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]pentan-2-yl]benzamide
CID 139386620
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide?
The IUPAC name of N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide (CID 157226633) is N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide.
What is the SMILES notation for N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide?
The canonical SMILES for N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide is CCCC[C@H](NC(=O)c1ccccc1)C(=O)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide?
The InChIKey is ATPOAXBCLJYNQM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-2-3-14-19(25-23(27)18-12-8-5-9-13-18)21(26)15-22-24-20(16-28-22)17-10-6-4-7-11-17/h4-13,16,19H,2-3,14-15H2,1H3,(H,25,27)/t19-/m0/s1.
What are the key properties of N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide?
N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide has a molecular weight of 392.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxo-1-(4-phenyl-1,3-thiazol-2-yl)heptan-3-yl]benzamide is sourced from PubChem (CID 157226633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).