4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine

C18H25N3O3S — CID 47064917

IUPAC4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine
SMILESCCN(CC)S(=O)(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)20-13-16-7-8-19-18(12-16)24-17-10-14(3)9-15(4)11-17/h7-12,20H,5-6,13H2,1-4H3
InChIKeyYACVAOQZUYZKLL-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.17
Rot. Bonds8

About 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine

4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine (PubChem CID 47064917) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine.

Molecular Properties

Compound Name4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine
PubChem CID47064917
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine
SMILESCCN(CC)S(=O)(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)20-13-16-7-8-19-18(12-16)24-17-10-14(3)9-15(4)11-17/h7-12,20H,5-6,13H2,1-4H3
InChIKeyYACVAOQZUYZKLL-UHFFFAOYSA-N
XLogP3.17
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
4-[4-[(diethylsulfamoylamino)methyl]-2-pyridinyl]morpholine
CID 35402758
N-methyl-1-[2-(3-methylphenoxy)-4-pyridinyl]methanamine
CID 55058261
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
CID 106062063
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 47065243
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55914573
1-[2-(4-chloro-3,5-dimethylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 62323652
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-2-methylbenzenesulfonamide
CID 36582613

Frequently Asked Questions

What is the IUPAC name of 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine?
The IUPAC name of 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine (CID 47064917) is 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine.
What is the SMILES notation for 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine?
The canonical SMILES for 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine is CCN(CC)S(=O)(=O)NCc1ccnc(Oc2cc(C)cc(C)c2)c1.
What is the InChIKey of 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine?
The InChIKey is YACVAOQZUYZKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-5-21(6-2)25(22,23)20-13-16-7-8-19-18(12-16)24-17-10-14(3)9-15(4)11-17/h7-12,20H,5-6,13H2,1-4H3.
What are the key properties of 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine?
4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine has a molecular weight of 363.48 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine is sourced from PubChem (CID 47064917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).