N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine

C26H28N4O3S — CID 1481484

IUPACN-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine
SMILESCc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1
InChIInChI=1S/C26H28N4O3S/c1-19-17-20(2)26(21(3)18-19)34(31,32)30-14-12-24(28-30)22-8-10-23(11-9-22)33-16-15-29(4)25-7-5-6-13-27-25/h5-14,17-18H,15-16H2,1-4H3
InChIKeySDHGEVBTAULWHZ-UHFFFAOYSA-N
MW476.60 g/mol
LogP4.62
Rot. Bonds8

About N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine

N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine (PubChem CID 1481484) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine
PubChem CID1481484
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC NameN-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine
SMILESCc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1
InChIInChI=1S/C26H28N4O3S/c1-19-17-20(2)26(21(3)18-19)34(31,32)30-14-12-24(28-30)22-8-10-23(11-9-22)33-16-15-29(4)25-7-5-6-13-27-25/h5-14,17-18H,15-16H2,1-4H3
InChIKeySDHGEVBTAULWHZ-UHFFFAOYSA-N
XLogP4.62
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine?
The IUPAC name of N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine (CID 1481484) is N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine is Cc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1.
What is the InChIKey of N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine?
The InChIKey is SDHGEVBTAULWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-19-17-20(2)26(21(3)18-19)34(31,32)30-14-12-24(28-30)22-8-10-23(11-9-22)33-16-15-29(4)25-7-5-6-13-27-25/h5-14,17-18H,15-16H2,1-4H3.
What are the key properties of N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine?
N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine has a molecular weight of 476.60 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[4-[1-(2,4,6-trimethylphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]pyridin-2-amine is sourced from PubChem (CID 1481484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).