2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide

C16H17N3O4S — CID 53120247

IUPAC2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-3-10-17-15(20)14-5-4-11-18-16(14)23-13-8-6-12(7-9-13)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyNQSCEEVPWZMIEQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.16
Rot. Bonds7

About 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide

2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 53120247) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID53120247
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C16H17N3O4S/c1-3-10-17-15(20)14-5-4-11-18-16(14)23-13-8-6-12(7-9-13)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20)
InChIKeyNQSCEEVPWZMIEQ-UHFFFAOYSA-N
XLogP2.16
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide
CID 53120168
N-butan-2-yl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120239
2-[3-(methanesulfonamido)phenoxy]-N-pentylpyridine-3-carboxamide
CID 53117639
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
2-[4-[(4-cyclohexylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120274
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
N-pentyl-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 53120314
2-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
2-[4-[(4-acetamidophenyl)sulfonylamino]phenoxy]-N-cyclopentylpyridine-3-carboxamide
CID 53120219
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide (CID 53120247) is 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1cccnc1Oc1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is NQSCEEVPWZMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-3-10-17-15(20)14-5-4-11-18-16(14)23-13-8-6-12(7-9-13)19-24(2,21)22/h3-9,11,19H,1,10H2,2H3,(H,17,20).
What are the key properties of 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide?
2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methanesulfonamido)phenoxy]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 53120247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).