N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H16N2O3S — CID 167872481

IUPACN-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2Cc3ccccc3C2)nc1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)14-6-7-15(17-10-14)18-16(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13H,8-9H2,1H3,(H,17,18,19)
InChIKeyJGRKRAGTFKKDQT-UHFFFAOYSA-N
MW316.38 g/mol
LogP1.84
Rot. Bonds3

About N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 167872481) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID167872481
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)C2Cc3ccccc3C2)nc1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)14-6-7-15(17-10-14)18-16(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13H,8-9H2,1H3,(H,17,18,19)
InChIKeyJGRKRAGTFKKDQT-UHFFFAOYSA-N
XLogP1.84
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 167872481) is N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)C2Cc3ccccc3C2)nc1.
What is the InChIKey of N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JGRKRAGTFKKDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-22(20,21)14-6-7-15(17-10-14)18-16(19)13-8-11-4-2-3-5-12(11)9-13/h2-7,10,13H,8-9H2,1H3,(H,17,18,19).
What are the key properties of N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfonyl-2-pyridinyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 167872481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).