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

C40H40N8O6S4 — CID 159041721

IUPAC(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O
InChIInChI=1S/2C20H20N4O3S2/c2*1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-6-13-11-14(7-8-15(13)16)17-5-3-4-10-22-17/h2*3-5,7-8,10-11,16H,6,9H2,1-2H3,(H2,21,26,27)/t2*16-/m10/s1
InChIKeyJWDHJIYMIOGBSH-RRHAQCGESA-N
MW857.08 g/mol
LogP5.71
Rot. Bonds8

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

(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 159041721) has the molecular formula C40H40N8O6S4 and a molecular weight of 857.08 g/mol. Its IUPAC name is (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID159041721
Molecular FormulaC40H40N8O6S4
Molecular Weight857.08 g/mol
Exact Mass856.20
IUPAC Name(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O
InChIInChI=1S/2C20H20N4O3S2/c2*1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-6-13-11-14(7-8-15(13)16)17-5-3-4-10-22-17/h2*3-5,7-8,10-11,16H,6,9H2,1-2H3,(H2,21,26,27)/t2*16-/m10/s1
InChIKeyJWDHJIYMIOGBSH-RRHAQCGESA-N
XLogP5.71
TPSA212.50 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500857.08
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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

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Launch Full Analysis

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-sulfamoyl-1,3-thiazol-2-yl)-2-(4-pyridin-2-ylphenyl)acetamide;sulfuric acid
CID 137648125
(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
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 146246328
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 146246332
(2R)-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 146246345
(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
(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
(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
(2R)-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 146246522

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide (CID 159041721) is (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide is Cc1nc(N(C)C(=O)[C@@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.Cc1nc(N(C)C(=O)[C@H]2CCc3cc(-c4ccccn4)ccc32)sc1S(N)(=O)=O.
What is the InChIKey of (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is JWDHJIYMIOGBSH-RRHAQCGESA-N. The full InChI is InChI=1S/2C20H20N4O3S2/c2*1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-6-13-11-14(7-8-15(13)16)17-5-3-4-10-22-17/h2*3-5,7-8,10-11,16H,6,9H2,1-2H3,(H2,21,26,27)/t2*16-/m10/s1.
What are the key properties of (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide?
(1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 857.08 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide;(1R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 159041721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).