2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

C18H21NOS — CID 131948792

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H21NOS/c1-13-9-10-21-17(13)12-19(2)18(20)11-15-8-7-14-5-3-4-6-16(14)15/h3-6,9-10,15H,7-8,11-12H2,1-2H3
InChIKeyDJRNEGVNEWEFCK-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.14
Rot. Bonds4

About 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (PubChem CID 131948792) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
PubChem CID131948792
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
SMILESCc1ccsc1CN(C)C(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H21NOS/c1-13-9-10-21-17(13)12-19(2)18(20)11-15-8-7-14-5-3-4-6-16(14)15/h3-6,9-10,15H,7-8,11-12H2,1-2H3
InChIKeyDJRNEGVNEWEFCK-UHFFFAOYSA-N
XLogP4.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide (CID 131948792) is 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is Cc1ccsc1CN(C)C(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is DJRNEGVNEWEFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-13-9-10-21-17(13)12-19(2)18(20)11-15-8-7-14-5-3-4-6-16(14)15/h3-6,9-10,15H,7-8,11-12H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 299.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 131948792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).