N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide

C21H21N3O2S2 — CID 7534471

IUPACN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccn2c(NS(=O)(=O)c3ccc(C(C)C)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H21N3O2S2/c1-14(2)16-6-8-17(9-7-16)28(25,26)23-21-20(18-5-4-12-27-18)22-19-13-15(3)10-11-24(19)21/h4-14,23H,1-3H3
InChIKeyXPGHFZNGYFVIPZ-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.30
Rot. Bonds5

About N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide

N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 7534471) has the molecular formula C21H21N3O2S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide
PubChem CID7534471
Molecular FormulaC21H21N3O2S2
Molecular Weight411.55 g/mol
Exact Mass411.11
IUPAC NameN-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide
SMILESCc1ccn2c(NS(=O)(=O)c3ccc(C(C)C)cc3)c(-c3cccs3)nc2c1
InChIInChI=1S/C21H21N3O2S2/c1-14(2)16-6-8-17(9-7-16)28(25,26)23-21-20(18-5-4-12-27-18)22-19-13-15(3)10-11-24(19)21/h4-14,23H,1-3H3
InChIKeyXPGHFZNGYFVIPZ-UHFFFAOYSA-N
XLogP5.30
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide (CID 7534471) is N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide is Cc1ccn2c(NS(=O)(=O)c3ccc(C(C)C)cc3)c(-c3cccs3)nc2c1.
What is the InChIKey of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is XPGHFZNGYFVIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S2/c1-14(2)16-6-8-17(9-7-16)28(25,26)23-21-20(18-5-4-12-27-18)22-19-13-15(3)10-11-24(19)21/h4-14,23H,1-3H3.
What are the key properties of N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide?
N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 411.55 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 7534471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).