N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide

C25H29N3O5S — CID 67286646

IUPACN-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ncccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C25H29N3O5S/c1-25(2,3)20-14-17(19-8-7-13-26-24(19)33-5)15-21(22(20)32-4)27-23(29)16-9-11-18(12-10-16)28-34(6,30)31/h7-15,28H,1-6H3,(H,27,29)
InChIKeyWVOJSRDLEYRRHP-UHFFFAOYSA-N
MW483.59 g/mol
LogP4.69
Rot. Bonds7

About N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide

N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide (PubChem CID 67286646) has the molecular formula C25H29N3O5S and a molecular weight of 483.59 g/mol. Its IUPAC name is N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide
PubChem CID67286646
Molecular FormulaC25H29N3O5S
Molecular Weight483.59 g/mol
Exact Mass483.18
IUPAC NameN-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide
SMILESCOc1ncccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c(C(C)(C)C)c1
InChIInChI=1S/C25H29N3O5S/c1-25(2,3)20-14-17(19-8-7-13-26-24(19)33-5)15-21(22(20)32-4)27-23(29)16-9-11-18(12-10-16)28-34(6,30)31/h7-15,28H,1-6H3,(H,27,29)
InChIKeyWVOJSRDLEYRRHP-UHFFFAOYSA-N
XLogP4.69
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
N-[3-tert-butyl-2-methoxy-5-(6-oxo-1H-pyridazin-5-yl)phenyl]-4-nitrosobenzamide
CID 88570256
methyl 3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 108767152
3-hydroxy-4-[[4-(methanesulfonamido)benzoyl]amino]benzoic acid
CID 108766490
4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(2-methoxy-3-pyridinyl)benzamide
CID 55869382
4-(methanesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 958689
N-[4-[2-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]-1-cyanoethenyl]phenyl]methanesulfonamide
CID 67286492
(Z)-3-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 59156683
N-[4-[2-[3-tert-butyl-5-(5-fluoro-2-methoxy-3-pyridinyl)-2-methoxyphenyl]ethenyl]-3-(hydroxymethyl)phenyl]methanesulfonamide
CID 72543611
3-[3-tert-butyl-2-methoxy-5-(2-oxo-1H-pyridin-3-yl)phenyl]-2-[4-(methanesulfonamido)phenyl]propanamide
CID 67070103
N-[4-[(E)-2-[5-[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]-3-tert-butyl-2-methoxyphenyl]ethenyl]phenyl]methanesulfonamide
CID 66833874
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide (CID 67286646) is N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide is COc1ncccc1-c1cc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c(OC)c(C(C)(C)C)c1.
What is the InChIKey of N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide?
The InChIKey is WVOJSRDLEYRRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S/c1-25(2,3)20-14-17(19-8-7-13-26-24(19)33-5)15-21(22(20)32-4)27-23(29)16-9-11-18(12-10-16)28-34(6,30)31/h7-15,28H,1-6H3,(H,27,29).
What are the key properties of N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide?
N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide has a molecular weight of 483.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-2-methoxy-5-(2-methoxy-3-pyridinyl)phenyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 67286646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).