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

C26H29N3O5S — CID 95089174

IUPACN-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC[C@H]4CCCO4)cn3)cc2)cc1C
InChIInChI=1S/C26H29N3O5S/c1-17-13-19(3)24(14-18(17)2)35(31,32)29-21-7-9-22(10-8-21)34-25-11-6-20(15-27-25)26(30)28-16-23-5-4-12-33-23/h6-11,13-15,23,29H,4-5,12,16H2,1-3H3,(H,28,30)/t23-/m1/s1
InChIKeyMNVJYGWMFLMFFD-HSZRJFAPSA-N
MW495.60 g/mol
LogP4.51
Rot. Bonds8

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

N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (PubChem CID 95089174) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
PubChem CID95089174
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC[C@H]4CCCO4)cn3)cc2)cc1C
InChIInChI=1S/C26H29N3O5S/c1-17-13-19(3)24(14-18(17)2)35(31,32)29-21-7-9-22(10-8-21)34-25-11-6-20(15-27-25)26(30)28-16-23-5-4-12-33-23/h6-11,13-15,23,29H,4-5,12,16H2,1-3H3,(H,28,30)/t23-/m1/s1
InChIKeyMNVJYGWMFLMFFD-HSZRJFAPSA-N
XLogP4.51
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[(4-fluorophenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95089121
N-propan-2-yl-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53120158
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
6-[4-[(2,5-dimethylphenyl)sulfonylamino]phenoxy]-N-ethylpyridine-3-carboxamide
CID 53120026
4-[(4-ethoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 26871354
6-[4-[(3,4-dimethylphenyl)sulfonylamino]phenoxy]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 53120091
6-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]sulfanyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 46388064
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 4658013
4-(ethylsulfonylamino)-N-(oxolan-2-ylmethyl)benzamide
CID 2995704
N-(oxolan-2-ylmethyl)-4-piperazin-1-yl-3-[(2,4,5-trimethylphenyl)sulfonylamino]benzamide
CID 46333531
2-[3-[(2,4-dimethylphenyl)sulfonylamino]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95088438

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide (CID 95089174) is N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccc(C(=O)NC[C@H]4CCCO4)cn3)cc2)cc1C.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
The InChIKey is MNVJYGWMFLMFFD-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-17-13-19(3)24(14-18(17)2)35(31,32)29-21-7-9-22(10-8-21)34-25-11-6-20(15-27-25)26(30)28-16-23-5-4-12-33-23/h6-11,13-15,23,29H,4-5,12,16H2,1-3H3,(H,28,30)/t23-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide?
N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide has a molecular weight of 495.60 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-6-[4-[(2,4,5-trimethylphenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 95089174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).