N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C25H21N3O3S — CID 164616749

IUPACN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1
InChIInChI=1S/C25H21N3O3S/c1-16-3-6-19(7-4-16)25-21(28-15-17(2)5-10-23(28)27-25)14-24(29)26-20-9-8-18-11-12-32(30,31)22(18)13-20/h3-13,15H,14H2,1-2H3,(H,26,29)
InChIKeyQCLWNFDQUCDNSM-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.56
Rot. Bonds4

About N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 164616749) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID164616749
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESCc1ccc(-c2nc3ccc(C)cn3c2CC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1
InChIInChI=1S/C25H21N3O3S/c1-16-3-6-19(7-4-16)25-21(28-15-17(2)5-10-23(28)27-25)14-24(29)26-20-9-8-18-11-12-32(30,31)22(18)13-20/h3-13,15H,14H2,1-2H3,(H,26,29)
InChIKeyQCLWNFDQUCDNSM-UHFFFAOYSA-N
XLogP4.56
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 164616749) is N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)Nc2ccc3c(c2)S(=O)(=O)C=C3)cc1.
What is the InChIKey of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is QCLWNFDQUCDNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-16-3-6-19(7-4-16)25-21(28-15-17(2)5-10-23(28)27-25)14-24(29)26-20-9-8-18-11-12-32(30,31)22(18)13-20/h3-13,15H,14H2,1-2H3,(H,26,29).
What are the key properties of N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 443.53 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-1-benzothiophen-6-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 164616749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).