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

C19H24N4O3S — CID 25163314

IUPACN-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-20-17(25)13-6-8-14(9-7-13)21-16(24)12-15-18(26)22-19(27-15)23-10-4-3-5-11-23/h6-9,15H,2-5,10-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyPKTBIURKEDOSKG-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.25
Rot. Bonds5

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

N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 25163314) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID25163314
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1
InChIInChI=1S/C19H24N4O3S/c1-2-20-17(25)13-6-8-14(9-7-13)21-16(24)12-15-18(26)22-19(27-15)23-10-4-3-5-11-23/h6-9,15H,2-5,10-12H2,1H3,(H,20,25)(H,21,24)
InChIKeyPKTBIURKEDOSKG-UHFFFAOYSA-N
XLogP2.25
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 11267278
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2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
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N-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]-2-(4-oxo-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)acetamide
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[4-[(5,5-Dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl]-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 22588447
4-dimethylamino-N-[6-(2-mercaptoacetylamino)hexyl]benzamide
CID 11279156
4-(Dimethylamino)-N-[4-(2-sulfanylacetamido)butyl]benzamide
CID 16733412
2-(3-Ethyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-N-phenyl-acetamide
CID 865153
4-[[2-[3-(3-Ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 2119181
N-(4-acetylphenyl)-2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 2228977
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 2532351
N-(sec-butyl)-2-({4-oxo-3-[3-(1-piperidinyl)propyl]-3,4-dihydro-2-quinazolinyl}thio)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (CID 25163314) is N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is CCNC(=O)c1ccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)cc1.
What is the InChIKey of N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is PKTBIURKEDOSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-2-20-17(25)13-6-8-14(9-7-13)21-16(24)12-15-18(26)22-19(27-15)23-10-4-3-5-11-23/h6-9,15H,2-5,10-12H2,1H3,(H,20,25)(H,21,24).
What are the key properties of N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 388.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 25163314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).