4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine

C18H25N3O3S — CID 47064895

IUPAC4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H25N3O3S/c1-3-4-12-21(2)25(22,23)20-14-17-10-11-19-18(13-17)24-15-16-8-6-5-7-9-16/h5-11,13,20H,3-4,12,14-15H2,1-2H3
InChIKeyWHMKAONDZZTNJS-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.73
Rot. Bonds10

About 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine

4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine (PubChem CID 47064895) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
PubChem CID47064895
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
SMILESCCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C18H25N3O3S/c1-3-4-12-21(2)25(22,23)20-14-17-10-11-19-18(13-17)24-15-16-8-6-5-7-9-16/h5-11,13,20H,3-4,12,14-15H2,1-2H3
InChIKeyWHMKAONDZZTNJS-UHFFFAOYSA-N
XLogP2.73
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethoxy)-4-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine
CID 47065062
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109
2-methoxy-4-[[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]methyl]pyridine
CID 106062063
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyrrolidin-1-ylpyridine
CID 47027396
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
CID 47064941
2-fluoro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 60539439
2-nitro-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzenesulfonamide
CID 55904944
1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111150670
N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47064899
1-[4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065147
2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111129253

Frequently Asked Questions

What is the IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine?
The IUPAC name of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine (CID 47064895) is 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine.
What is the SMILES notation for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine?
The canonical SMILES for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine is CCCCN(C)S(=O)(=O)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine?
The InChIKey is WHMKAONDZZTNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-4-12-21(2)25(22,23)20-14-17-10-11-19-18(13-17)24-15-16-8-6-5-7-9-16/h5-11,13,20H,3-4,12,14-15H2,1-2H3.
What are the key properties of 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine?
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine has a molecular weight of 363.48 g/mol, XLogP of 2.73, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine is sourced from PubChem (CID 47064895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).