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

C20H20N4O3S2 — CID 146246308

IUPAC(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H20N4O3S2/c1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-13-6-7-14(10-15(13)11-16)17-5-3-4-8-22-17/h3-8,10,16H,9,11H2,1-2H3,(H2,21,26,27)/t16-/m1/s1
InChIKeyKVGIVOAGCRDHHH-MRXNPFEDSA-N
MW428.54 g/mol
LogP2.54
Rot. Bonds4

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

(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 146246308) has the molecular formula C20H20N4O3S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID146246308
Molecular FormulaC20H20N4O3S2
Molecular Weight428.54 g/mol
Exact Mass428.10
IUPAC Name(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1nc(N(C)C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O
InChIInChI=1S/C20H20N4O3S2/c1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-13-6-7-14(10-15(13)11-16)17-5-3-4-8-22-17/h3-8,10,16H,9,11H2,1-2H3,(H2,21,26,27)/t16-/m1/s1
InChIKeyKVGIVOAGCRDHHH-MRXNPFEDSA-N
XLogP2.54
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of (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) is (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is Cc1nc(N(C)C(=O)[C@@H]2Cc3ccc(-c4ccccn4)cc3C2)sc1S(N)(=O)=O.
What is the InChIKey of (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is KVGIVOAGCRDHHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O3S2/c1-12-19(29(21,26)27)28-20(23-12)24(2)18(25)16-9-13-6-7-14(10-15(13)11-16)17-5-3-4-8-22-17/h3-8,10,16H,9,11H2,1-2H3,(H2,21,26,27)/t16-/m1/s1.
What are the key properties of (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide?
(2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)-5-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 146246308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).