2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

C24H26N2O2S — CID 17392078

IUPAC2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C24H26N2O2S/c1-16-8-11-21(28-2)20(13-16)26-23(27)15-25-24(22-7-4-12-29-22)19-10-9-17-5-3-6-18(17)14-19/h4,7-14,24-25H,3,5-6,15H2,1-2H3,(H,26,27)
InChIKeyGRQDNAIPRQVPEF-UHFFFAOYSA-N
MW406.55 g/mol
LogP4.87
Rot. Bonds7

About 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 17392078) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID17392078
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNC(c1ccc2c(c1)CCC2)c1cccs1
InChIInChI=1S/C24H26N2O2S/c1-16-8-11-21(28-2)20(13-16)26-23(27)15-25-24(22-7-4-12-29-22)19-10-9-17-5-3-6-18(17)14-19/h4,7-14,24-25H,3,5-6,15H2,1-2H3,(H,26,27)
InChIKeyGRQDNAIPRQVPEF-UHFFFAOYSA-N
XLogP4.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 17392078) is 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNC(c1ccc2c(c1)CCC2)c1cccs1.
What is the InChIKey of 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is GRQDNAIPRQVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-16-8-11-21(28-2)20(13-16)26-23(27)15-25-24(22-7-4-12-29-22)19-10-9-17-5-3-6-18(17)14-19/h4,7-14,24-25H,3,5-6,15H2,1-2H3,(H,26,27).
What are the key properties of 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 406.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methyl]amino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 17392078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).