N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide

C34H46N4O5S — CID 67217645

IUPACN-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide
SMILESCOc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCNCC4)c3)c2)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C34H46N4O5S/c1-22(2)21-44(40,41)38-30-19-26(34(4,5)6)18-29(32(30)42-7)37-33(39)25-9-8-23(3)31(17-25)43-28-12-15-36-27(20-28)16-24-10-13-35-14-11-24/h8-9,12,15,17-20,22,24,35,38H,10-11,13-14,16,21H2,1-7H3,(H,37,39)
InChIKeyZHCRZCKBJUFLEF-UHFFFAOYSA-N
MW622.83 g/mol
LogP6.68
Rot. Bonds11

About N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide

N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide (PubChem CID 67217645) has the molecular formula C34H46N4O5S and a molecular weight of 622.83 g/mol. Its IUPAC name is N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide
PubChem CID67217645
Molecular FormulaC34H46N4O5S
Molecular Weight622.83 g/mol
Exact Mass622.32
IUPAC NameN-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide
SMILESCOc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCNCC4)c3)c2)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C
InChIInChI=1S/C34H46N4O5S/c1-22(2)21-44(40,41)38-30-19-26(34(4,5)6)18-29(32(30)42-7)37-33(39)25-9-8-23(3)31(17-25)43-28-12-15-36-27(20-28)16-24-10-13-35-14-11-24/h8-9,12,15,17-20,22,24,35,38H,10-11,13-14,16,21H2,1-7H3,(H,37,39)
InChIKeyZHCRZCKBJUFLEF-UHFFFAOYSA-N
XLogP6.68
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.83
LogP ≤ 56.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methanesulfonamido)-2-methoxy-5-(1,1,2,2,2-pentafluoroethyl)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide
CID 87313743
N-[5-tert-butyl-3-(2-cyclopropylethyl)-2-methoxyphenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide
CID 148825168
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-chloro-3-[[2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]oxy]benzamide
CID 67217459
tert-butyl 4-[[4-[5-[(3-amino-5-tert-butyl-2-methoxyphenyl)carbamoyl]-2-methylphenoxy]-2-pyridinyl]methyl]piperidine-1-carboxylate
CID 67491683
tert-butyl [4-[[4-[5-[(5-tert-butyl-3-formyl-2-methoxyphenyl)carbamoyl]-2-methylphenoxy]-2-pyridinyl]methyl]piperidin-1-yl] carbonate
CID 87313919
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[6-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-yl]oxybenzamide
CID 46181594
methyl 5-tert-butyl-3-[[3-[[2-(1,4-diazepan-1-ylmethyl)-4-pyridinyl]oxy]-4-methylbenzoyl]amino]-2-methoxybenzoate
CID 67491703
N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-methyl-3-[[2-(pyrrolidin-1-ylmethyl)-4-pyridinyl]oxy]benzamide
CID 143951251
N-[5-tert-butyl-2-methoxy-3-(methylsulfanylamino)phenyl]-4-chloro-3-[6-(piperidin-4-ylmethyl)pyrimidin-4-yl]oxybenzamide
CID 143951198
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-methyl-3-[2-(methylamino)pyrimidin-4-yl]oxybenzamide
CID 46181755
tert-butyl [4-[[4-[5-[[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]carbamoyl]-2-chlorophenoxy]-2-pyridinyl]methyl]-1,4-diazepan-1-yl] carbonate
CID 67217052
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2,2,2-trifluoro-N-[4-methyl-3-[[2-(piperazin-1-ylmethyl)-4-pyridinyl]oxy]phenyl]acetamide
CID 87420721

Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide (CID 67217645) is N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide is COc1c(NC(=O)c2ccc(C)c(Oc3ccnc(CC4CCNCC4)c3)c2)cc(C(C)(C)C)cc1NS(=O)(=O)CC(C)C.
What is the InChIKey of N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide?
The InChIKey is ZHCRZCKBJUFLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N4O5S/c1-22(2)21-44(40,41)38-30-19-26(34(4,5)6)18-29(32(30)42-7)37-33(39)25-9-8-23(3)31(17-25)43-28-12-15-36-27(20-28)16-24-10-13-35-14-11-24/h8-9,12,15,17-20,22,24,35,38H,10-11,13-14,16,21H2,1-7H3,(H,37,39).
What are the key properties of N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide?
N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide has a molecular weight of 622.83 g/mol, XLogP of 6.68, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-2-methoxy-3-(2-methylpropylsulfonylamino)phenyl]-4-methyl-3-[[2-(piperidin-4-ylmethyl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 67217645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).