N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide

C17H21N3O4S — CID 53120239

IUPACN-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-12(2)19-16(21)15-6-5-11-18-17(15)24-14-9-7-13(8-10-14)20-25(3,22)23/h5-12,20H,4H2,1-3H3,(H,19,21)
InChIKeyCHWZTACRRIDZFW-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.77
Rot. Bonds7

About N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide

N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide (PubChem CID 53120239) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
PubChem CID53120239
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C17H21N3O4S/c1-4-12(2)19-16(21)15-6-5-11-18-17(15)24-14-9-7-13(8-10-14)20-25(3,22)23/h5-12,20H,4H2,1-3H3,(H,19,21)
InChIKeyCHWZTACRRIDZFW-UHFFFAOYSA-N
XLogP2.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089271
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120247
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
N-butan-2-yl-2-[[4-(methanesulfonamido)benzoyl]amino]benzamide
CID 2968059
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
[(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 31531619
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide (CID 53120239) is N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide is CCC(C)NC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide?
The InChIKey is CHWZTACRRIDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c1-4-12(2)19-16(21)15-6-5-11-18-17(15)24-14-9-7-13(8-10-14)20-25(3,22)23/h5-12,20H,4H2,1-3H3,(H,19,21).
What are the key properties of N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide?
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53120239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).