4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine

C18H25N3O3S — CID 47064941

IUPAC4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
SMILESCCCN(CCC)S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C18H25N3O3S/c1-3-12-21(13-4-2)25(22,23)20-15-16-10-11-19-18(14-16)24-17-8-6-5-7-9-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3
InChIKeyAQEGQKPKGPGCCT-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.33
Rot. Bonds10

About 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine

4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine (PubChem CID 47064941) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine.

Molecular Properties

Compound Name4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
PubChem CID47064941
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC Name4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine
SMILESCCCN(CCC)S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1
InChIInChI=1S/C18H25N3O3S/c1-3-12-21(13-4-2)25(22,23)20-15-16-10-11-19-18(14-16)24-17-8-6-5-7-9-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3
InChIKeyAQEGQKPKGPGCCT-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(diethylsulfamoylamino)methyl]-2-(3,5-dimethylphenoxy)pyridine
CID 47064917
N-[(2-phenoxy-4-pyridinyl)methyl]propan-1-amine
CID 62296638
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-2-phenylmethoxypyridine
CID 47064895
4-[(dimethylsulfamoylamino)methyl]-2-ethoxypyridine
CID 75416252
1-[(dipropylsulfamoylamino)methyl]-4-methoxybenzene
CID 46406417
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-methyl-6-nitrobenzenesulfonamide
CID 55914573
5-bromo-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]thiophene-2-sulfonamide
CID 55913944
1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
CID 47065148
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2,6-dimethylmorpholine-4-sulfonamide
CID 47065243
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
N-[(3-pyridin-2-yloxyphenyl)methyl]butane-1-sulfonamide
CID 90596373
4-[[[3-aminopropyl(methyl)sulfamoyl]amino]methyl]-2-methoxypyridine
CID 55142109

Frequently Asked Questions

What is the IUPAC name of 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine?
The IUPAC name of 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine (CID 47064941) is 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine.
What is the SMILES notation for 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine?
The canonical SMILES for 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine is CCCN(CCC)S(=O)(=O)NCc1ccnc(Oc2ccccc2)c1.
What is the InChIKey of 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine?
The InChIKey is AQEGQKPKGPGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-3-12-21(13-4-2)25(22,23)20-15-16-10-11-19-18(14-16)24-17-8-6-5-7-9-17/h5-11,14,20H,3-4,12-13,15H2,1-2H3.
What are the key properties of 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine?
4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine has a molecular weight of 363.48 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dipropylsulfamoylamino)methyl]-2-phenoxypyridine is sourced from PubChem (CID 47064941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).