(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

C19H17FN4O3S2 — CID 146246370

IUPAC(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(C(=O)[C@@H]1Cc2ccc(-c3ncccc3F)cc2C1)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C19H17FN4O3S2/c1-24(19-23-10-16(28-19)29(21,26)27)18(25)14-7-11-4-5-12(8-13(11)9-14)17-15(20)3-2-6-22-17/h2-6,8,10,14H,7,9H2,1H3,(H2,21,26,27)/t14-/m1/s1
InChIKeyFXEDRQGMQDFAPP-CQSZACIVSA-N
MW432.50 g/mol
LogP2.37
Rot. Bonds4

About (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 146246370) has the molecular formula C19H17FN4O3S2 and a molecular weight of 432.50 g/mol. Its IUPAC name is (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID146246370
Molecular FormulaC19H17FN4O3S2
Molecular Weight432.50 g/mol
Exact Mass432.07
IUPAC Name(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCN(C(=O)[C@@H]1Cc2ccc(-c3ncccc3F)cc2C1)c1ncc(S(N)(=O)=O)s1
InChIInChI=1S/C19H17FN4O3S2/c1-24(19-23-10-16(28-19)29(21,26)27)18(25)14-7-11-4-5-12(8-13(11)9-14)17-15(20)3-2-6-22-17/h2-6,8,10,14H,7,9H2,1H3,(H2,21,26,27)/t14-/m1/s1
InChIKeyFXEDRQGMQDFAPP-CQSZACIVSA-N
XLogP2.37
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 146246370) is (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is CN(C(=O)[C@@H]1Cc2ccc(-c3ncccc3F)cc2C1)c1ncc(S(N)(=O)=O)s1.
What is the InChIKey of (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is FXEDRQGMQDFAPP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H17FN4O3S2/c1-24(19-23-10-16(28-19)29(21,26)27)18(25)14-7-11-4-5-12(8-13(11)9-14)17-15(20)3-2-6-22-17/h2-6,8,10,14H,7,9H2,1H3,(H2,21,26,27)/t14-/m1/s1.
What are the key properties of (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
(2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 146246370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).