N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

C23H30N4O3S — CID 46601666

IUPACN-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H30N4O3S/c28-20(15-19-22(30)26-23(31-19)27-12-5-2-6-13-27)24-18-11-7-8-16(14-18)21(29)25-17-9-3-1-4-10-17/h7-8,11,14,17,19H,1-6,9-10,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyBPSMKLREPBYZTD-UHFFFAOYSA-N
MW442.59 g/mol
LogP3.56
Rot. Bonds5

About N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide

N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 46601666) has the molecular formula C23H30N4O3S and a molecular weight of 442.59 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID46601666
Molecular FormulaC23H30N4O3S
Molecular Weight442.59 g/mol
Exact Mass442.20
IUPAC NameN-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESO=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C23H30N4O3S/c28-20(15-19-22(30)26-23(31-19)27-12-5-2-6-13-27)24-18-11-7-8-16(14-18)21(29)25-17-9-3-1-4-10-17/h7-8,11,14,17,19H,1-6,9-10,12-13,15H2,(H,24,28)(H,25,29)
InChIKeyBPSMKLREPBYZTD-UHFFFAOYSA-N
XLogP3.56
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.59
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 41203800
2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)-N-[3-[(pyrimidin-2-ylamino)carbamoyl]phenyl]acetamide
CID 55565452
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
3-[[2-[(5R)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 41061305
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
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
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-pyridin-2-ylethyl)benzamide
CID 45354482
N-(4-ethylphenyl)-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46531785
N-[3-[[(2-methylbenzoyl)amino]carbamoyl]phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 46541094

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 46601666) is N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is O=C(CC1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is BPSMKLREPBYZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3S/c28-20(15-19-22(30)26-23(31-19)27-12-5-2-6-13-27)24-18-11-7-8-16(14-18)21(29)25-17-9-3-1-4-10-17/h7-8,11,14,17,19H,1-6,9-10,12-13,15H2,(H,24,28)(H,25,29).
What are the key properties of N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 442.59 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 46601666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).