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

C24H28N4O3S2 — CID 55454342

IUPACN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C24H28N4O3S2/c1-16-9-12-32-20(16)15-27(2)23(31)17-7-6-8-18(13-17)25-21(29)14-19-22(30)26-24(33-19)28-10-4-3-5-11-28/h6-9,12-13,19H,3-5,10-11,14-15H2,1-2H3,(H,25,29)
InChIKeyHIHLMUBPXRXIRG-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.14
Rot. Bonds6

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

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide (PubChem CID 55454342) has the molecular formula C24H28N4O3S2 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
PubChem CID55454342
Molecular FormulaC24H28N4O3S2
Molecular Weight484.65 g/mol
Exact Mass484.16
IUPAC NameN-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide
SMILESCc1ccsc1CN(C)C(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
InChIInChI=1S/C24H28N4O3S2/c1-16-9-12-32-20(16)15-27(2)23(31)17-7-6-8-18(13-17)25-21(29)14-19-22(30)26-24(33-19)28-10-4-3-5-11-28/h6-9,12-13,19H,3-5,10-11,14-15H2,1-2H3,(H,25,29)
InChIKeyHIHLMUBPXRXIRG-UHFFFAOYSA-N
XLogP4.14
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The IUPAC name of 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) is N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is Cc1ccsc1CN(C)C(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1.
What is the InChIKey of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
The InChIKey is HIHLMUBPXRXIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S2/c1-16-9-12-32-20(16)15-27(2)23(31)17-7-6-8-18(13-17)25-21(29)14-19-22(30)26-24(33-19)28-10-4-3-5-11-28/h6-9,12-13,19H,3-5,10-11,14-15H2,1-2H3,(H,25,29).
What are the key properties of N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide?
N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide has a molecular weight of 484.65 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-[[2-(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 55454342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).