2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide

C18H23N3O4S — CID 53117639

IUPAC2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O4S/c1-3-4-5-11-19-17(22)16-10-7-12-20-18(16)25-15-9-6-8-14(13-15)21-26(2,23)24/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,19,22)
InChIKeyJHFZVLROPKZORO-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.17
Rot. Bonds9

About 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide

2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide (PubChem CID 53117639) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
PubChem CID53117639
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
SMILESCCCCCNC(=O)c1cccnc1Oc1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C18H23N3O4S/c1-3-4-5-11-19-17(22)16-10-7-12-20-18(16)25-15-9-6-8-14(13-15)21-26(2,23)24/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,19,22)
InChIKeyJHFZVLROPKZORO-UHFFFAOYSA-N
XLogP3.17
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117640
2-[3-(ethylsulfonylamino)phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53117628
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
N-hexyl-2-methylpyridine-3-carboxamide
CID 67377746
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120239
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088432
2-[3-[(4-methylphenyl)sulfonylamino]phenoxy]-N-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088433
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide?
The IUPAC name of 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide (CID 53117639) is 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide is CCCCCNC(=O)c1cccnc1Oc1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide?
The InChIKey is JHFZVLROPKZORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-3-4-5-11-19-17(22)16-10-7-12-20-18(16)25-15-9-6-8-14(13-15)21-26(2,23)24/h6-10,12-13,21H,3-5,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide?
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide has a molecular weight of 377.47 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide is sourced from PubChem (CID 53117639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).