N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C23H25N3O4S — CID 53120103

IUPACN-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O4S/c1-4-24-23(27)18-7-14-22(25-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-17(6-13-21)16(2)3/h5-16,26H,4H2,1-3H3,(H,24,27)
InChIKeyNDFSEQLBFDTUIW-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.55
Rot. Bonds8

About N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53120103) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53120103
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1
InChIInChI=1S/C23H25N3O4S/c1-4-24-23(27)18-7-14-22(25-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-17(6-13-21)16(2)3/h5-16,26H,4H2,1-3H3,(H,24,27)
InChIKeyNDFSEQLBFDTUIW-UHFFFAOYSA-N
XLogP4.55
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
4-[[5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyridinyl]oxy]-N-ethylbenzamide
CID 46389231
4-[[5-[(4-fluorophenyl)sulfonylamino]-2-pyridinyl]oxy]-N-(2-methoxyethyl)benzamide
CID 46389220
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
6-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-pentylpyridine-3-carboxamide
CID 53120059

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53120103) is N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is CCNC(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)nc1.
What is the InChIKey of N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is NDFSEQLBFDTUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-24-23(27)18-7-14-22(25-15-18)30-20-10-8-19(9-11-20)26-31(28,29)21-12-5-17(6-13-21)16(2)3/h5-16,26H,4H2,1-3H3,(H,24,27).
What are the key properties of N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53120103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).