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

C22H30N4O3S — CID 26010248

IUPACN-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCCCCN(C)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C22H30N4O3S/c1-3-4-11-25(2)21(29)16-9-8-10-17(14-16)23-19(27)15-18-20(28)24-22(30-18)26-12-6-5-7-13-26/h8-10,14,18H,3-7,11-13,15H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyOIRCOOYZZGTDSJ-SFHVURJKSA-N
MW430.57 g/mol
LogP3.37
Rot. Bonds7

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

N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide (PubChem CID 26010248) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
PubChem CID26010248
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
SMILESCCCCN(C)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C22H30N4O3S/c1-3-4-11-25(2)21(29)16-9-8-10-17(14-16)23-19(27)15-18-20(28)24-22(30-18)26-12-6-5-7-13-26/h8-10,14,18H,3-7,11-13,15H2,1-2H3,(H,23,27)/t18-/m0/s1
InChIKeyOIRCOOYZZGTDSJ-SFHVURJKSA-N
XLogP3.37
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-ethyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 46549672
N-[(4-fluorophenyl)methyl]-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide
CID 39954547
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 55454342
N-[3-(azocane-1-carbonyl)phenyl]-2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetamide
CID 55374570
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
CID 25163414
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-(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
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
3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43021146

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The IUPAC name of N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide (CID 26010248) is N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The canonical SMILES for N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is CCCCN(C)C(=O)c1cccc(NC(=O)C[C@@H]2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
The InChIKey is OIRCOOYZZGTDSJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-3-4-11-25(2)21(29)16-9-8-10-17(14-16)23-19(27)15-18-20(28)24-22(30-18)26-12-6-5-7-13-26/h8-10,14,18H,3-7,11-13,15H2,1-2H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide?
N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide has a molecular weight of 430.57 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide is sourced from PubChem (CID 26010248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).