(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

C20H19FN4O3S2 — CID 146246371

IUPAC(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@H]2Cc3ccc(-c4ncccc4F)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)15-8-12-5-6-13(9-14(12)10-15)17-16(21)4-3-7-23-17/h3-7,9,15H,8,10H2,1-2H3,(H2,22,27,28)/t15-/m0/s1
InChIKeyAOGFNDSSICEJBS-HNNXBMFYSA-N
MW446.53 g/mol
LogP2.68
Rot. Bonds4

About (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 146246371) has the molecular formula C20H19FN4O3S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID146246371
Molecular FormulaC20H19FN4O3S2
Molecular Weight446.53 g/mol
Exact Mass446.09
IUPAC Name(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@H]2Cc3ccc(-c4ncccc4F)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)15-8-12-5-6-13(9-14(12)10-15)17-16(21)4-3-7-23-17/h3-7,9,15H,8,10H2,1-2H3,(H2,22,27,28)/t15-/m0/s1
InChIKeyAOGFNDSSICEJBS-HNNXBMFYSA-N
XLogP2.68
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 146246371) is (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is Cc1nc(N(C)C(=O)[C@H]2Cc3ccc(-c4ncccc4F)cc3C2)sc1S(N)(=O)=O.
What is the InChIKey of (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is AOGFNDSSICEJBS-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)15-8-12-5-6-13(9-14(12)10-15)17-16(21)4-3-7-23-17/h3-7,9,15H,8,10H2,1-2H3,(H2,22,27,28)/t15-/m0/s1.
What are the key properties of (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
(2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 446.53 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(3-fluoro-2-pyridinyl)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 146246371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).