N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C24H27N3O4S — CID 53120158

IUPACN-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1C
InChIInChI=1S/C24H27N3O4S/c1-15(2)26-24(28)19-6-11-23(25-14-19)31-21-9-7-20(8-10-21)27-32(29,30)22-13-17(4)16(3)12-18(22)5/h6-15,27H,1-5H3,(H,26,28)
InChIKeyYGLLALDQJVOCCX-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.74
Rot. Bonds7

About N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 53120158) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID53120158
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1C
InChIInChI=1S/C24H27N3O4S/c1-15(2)26-24(28)19-6-11-23(25-14-19)31-21-9-7-20(8-10-21)27-32(29,30)22-13-17(4)16(3)12-18(22)5/h6-15,27H,1-5H3,(H,26,28)
InChIKeyYGLLALDQJVOCCX-UHFFFAOYSA-N
XLogP4.74
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120139
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95089174
6-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120121
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
N-butan-2-yl-6-[4-[(4-tert-butylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120148
2,4,5-trimethyl-N-[4-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]phenyl]benzenesulfonamide
CID 25046641
N-[(2S)-butan-2-yl]-6-[4-(ethylsulfonylamino)phenoxy]pyridine-3-carboxamide
CID 95089134
N-ethyl-6-[4-[(4-propan-2-ylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120103
4-methyl-3-(phenylsulfamoyl)-N-propan-2-ylbenzamide
CID 961836
6-[4-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-butylpyridine-3-carboxamide
CID 53120146
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 53120158) is N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1C.
What is the InChIKey of N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is YGLLALDQJVOCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-15(2)26-24(28)19-6-11-23(25-14-19)31-21-9-7-20(8-10-21)27-32(29,30)22-13-17(4)16(3)12-18(22)5/h6-15,27H,1-5H3,(H,26,28).
What are the key properties of N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 53120158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).