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

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Related Compounds

N-[2-(4-{1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481459
N-[2-(4-{1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481460
N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine
CID 1481480
N-[4-(5-Amino-1-pyridin-2-yl-1H-pyrazol-3-yl)-phenyl]-4-methoxy-benzenesulfonamide
CID 44312927
2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 44387062
N-[2-(4-{1-[(2,6-dichlorophenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481486
4-[2-[[2-[4-(2-Morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 46943565
3-Methyl-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-5-yl)cyclohexyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 89963234
N-[2-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 166593591
N-[3-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]propyl]-4-methylbenzenesulfonamide
CID 166593597
N-[2-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-methylbenzenesulfonamide
CID 166593607
N-[3-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]propyl]-4-methoxybenzenesulfonamide
CID 166593611

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).