(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

C20H19FN4O3S2 — CID 146246391

IUPAC(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2Cc3cc(F)c(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)14-7-12-9-15(16(21)10-13(12)8-14)17-5-3-4-6-23-17/h3-6,9-10,14H,7-8H2,1-2H3,(H2,22,27,28)/t14-/m0/s1
InChIKeyURGCPZKKOBRSLS-AWEZNQCLSA-N
MW446.53 g/mol
LogP2.68
Rot. Bonds4

About (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide

(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 146246391) has the molecular formula C20H19FN4O3S2 and a molecular weight of 446.53 g/mol. Its IUPAC name is (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID146246391
Molecular FormulaC20H19FN4O3S2
Molecular Weight446.53 g/mol
Exact Mass446.09
IUPAC Name(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2Cc3cc(F)c(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)14-7-12-9-15(16(21)10-13(12)8-14)17-5-3-4-6-23-17/h3-6,9-10,14H,7-8H2,1-2H3,(H2,22,27,28)/t14-/m0/s1
InChIKeyURGCPZKKOBRSLS-AWEZNQCLSA-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

Analyze (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide with MolForge

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Related Compounds

N-(5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl)-N-methyl-2-(4-(2-pyridinyl)phenyl)acetamide
CID 491941
N-(4-ethyl-5-sulfamoyl-1,3-thiazol-2-yl)-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 123372490
5Ljk37NK4E
CID 21051363
N-methyl-N-(4-methyl-5-sulfamoylthiazol-2-yl)-2-(4-(pyrazin-2-yl)phenyl)acetamide
CID 21051367
N-methyl-N-[4-methyl-5-(methylsulfamoyl)-1,3-thiazol-2-yl]-2-(4-pyridin-2-ylphenyl)acetamide;hydrochloride
CID 70037678
N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide;sulfuric acid
CID 137648125
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CID 11950374
N-[4-(hydroxymethyl)-5-sulfamoyl-1,3-thiazol-2-yl]-N-methyl-2-(4-pyridin-2-ylphenyl)acetamide
CID 137640944
N-methyl-2-[4-(1-methylpyridin-1-ium-2-yl)phenyl]-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide acetate
CID 137659570
Pritelivir mesylate hydrate
CID 71515453
CID 134805052
CID 134805052
(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
CID 146246308

Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (CID 146246391) is (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is Cc1nc(N(C)C(=O)[C@@H]2Cc3cc(F)c(-c4ccccn4)cc3C2)sc1S(N)(=O)=O.
What is the InChIKey of (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is URGCPZKKOBRSLS-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19FN4O3S2/c1-11-19(30(22,27)28)29-20(24-11)25(2)18(26)14-7-12-9-15(16(21)10-13(12)8-14)17-5-3-4-6-23-17/h3-6,9-10,14H,7-8H2,1-2H3,(H2,22,27,28)/t14-/m0/s1.
What are the key properties of (2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
(2S)-5-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-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-fluoro-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 146246391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).