2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

C20H23N3O2S2 — CID 7202342

IUPAC2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)c(C)c1
InChIInChI=1S/C20H23N3O2S2/c1-13-10-14(2)19(15(3)11-13)27(24,25)22-9-7-18-16(4)23-20(26-18)17-6-5-8-21-12-17/h5-6,8,10-12,22H,7,9H2,1-4H3
InChIKeyYDOYGAULUAVAGK-UHFFFAOYSA-N
MW401.56 g/mol
LogP3.96
Rot. Bonds6

About 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide

2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 7202342) has the molecular formula C20H23N3O2S2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
PubChem CID7202342
Molecular FormulaC20H23N3O2S2
Molecular Weight401.56 g/mol
Exact Mass401.12
IUPAC Name2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)c(C)c1
InChIInChI=1S/C20H23N3O2S2/c1-13-10-14(2)19(15(3)11-13)27(24,25)22-9-7-18-16(4)23-20(26-18)17-6-5-8-21-12-17/h5-6,8,10-12,22H,7,9H2,1-4H3
InChIKeyYDOYGAULUAVAGK-UHFFFAOYSA-N
XLogP3.96
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide (CID 7202342) is 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3cccnc3)nc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is YDOYGAULUAVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S2/c1-13-10-14(2)19(15(3)11-13)27(24,25)22-9-7-18-16(4)23-20(26-18)17-6-5-8-21-12-17/h5-6,8,10-12,22H,7,9H2,1-4H3.
What are the key properties of 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide?
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 401.56 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 7202342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).