N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

C24H27N3O4S — CID 95089271

IUPACN-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O4S/c1-5-18(4)26-23(28)21-7-6-14-25-24(21)31-20-11-9-19(10-12-20)27-32(29,30)22-13-8-16(2)15-17(22)3/h6-15,18,27H,5H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyNTJYYQDLBOFRDK-SFHVURJKSA-N
MW453.56 g/mol
LogP4.82
Rot. Bonds8

About N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide

N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 95089271) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID95089271
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC NameN-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCC[C@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C24H27N3O4S/c1-5-18(4)26-23(28)21-7-6-14-25-24(21)31-20-11-9-19(10-12-20)27-32(29,30)22-13-8-16(2)15-17(22)3/h6-15,18,27H,5H2,1-4H3,(H,26,28)/t18-/m0/s1
InChIKeyNTJYYQDLBOFRDK-SFHVURJKSA-N
XLogP4.82
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[4-[(4-bromophenyl)sulfonylamino]phenoxy]-N-propan-2-ylpyridine-3-carboxamide
CID 53120166
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438
2-[3-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53117682
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-4-methyl-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 126413495
2-[4-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120284
N-ethyl-2-[4-(methanesulfonamido)phenoxy]pyridine-3-carboxamide
CID 53120244
2,4-dimethyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 19683803
N-butan-2-yl-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 51160733
2-[4-[(5-chlorothiophen-2-yl)sulfonylamino]phenoxy]-N-propylpyridine-3-carboxamide
CID 53120306
ethyl N-[4-[(2,4-dimethylphenyl)sulfonylamino]phenyl]carbamate
CID 60534888

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 95089271) is N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is CC[C@H](C)NC(=O)c1cccnc1Oc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is NTJYYQDLBOFRDK-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-5-18(4)26-23(28)21-7-6-14-25-24(21)31-20-11-9-19(10-12-20)27-32(29,30)22-13-8-16(2)15-17(22)3/h6-15,18,27H,5H2,1-4H3,(H,26,28)/t18-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[4-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95089271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).