4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C23H22N2O4S — CID 135310019

IUPAC4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(-c2cccc3c2CCC3C(=O)NS(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C23H22N2O4S/c1-15-6-3-4-9-21(15)30(27,28)25-23(26)20-12-11-19-17(7-5-8-18(19)20)16-10-13-22(29-2)24-14-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,25,26)
InChIKeyYDGVDRZBGMRLCB-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.60
Rot. Bonds5

About 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide

4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135310019) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135310019
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(-c2cccc3c2CCC3C(=O)NS(=O)(=O)c2ccccc2C)cn1
InChIInChI=1S/C23H22N2O4S/c1-15-6-3-4-9-21(15)30(27,28)25-23(26)20-12-11-19-17(7-5-8-18(19)20)16-10-13-22(29-2)24-14-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,25,26)
InChIKeyYDGVDRZBGMRLCB-UHFFFAOYSA-N
XLogP3.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135310019) is 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(-c2cccc3c2CCC3C(=O)NS(=O)(=O)c2ccccc2C)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is YDGVDRZBGMRLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-15-6-3-4-9-21(15)30(27,28)25-23(26)20-12-11-19-17(7-5-8-18(19)20)16-10-13-22(29-2)24-14-16/h3-10,13-14,20H,11-12H2,1-2H3,(H,25,26).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-N-(2-methylphenyl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135310019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).