N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride

C32H36ClN5O4S — CID 142688788

IUPACN-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(Nc4ccc(C(=O)NCc5ccccc5)cc4)CC3)cn2)cc1.Cl
InChIInChI=1S/C32H35N5O4S.ClH/c1-42(39,40)36-29-12-14-30(15-13-29)41-31-16-7-25(22-33-31)23-37-19-17-28(18-20-37)35-27-10-8-26(9-11-27)32(38)34-21-24-5-3-2-4-6-24;/h2-16,22,28,35-36H,17-21,23H2,1H3,(H,34,38);1H
InChIKeyVZMBEFFXSFCITI-UHFFFAOYSA-N
MW622.19 g/mol
LogP5.67
Rot. Bonds11

About N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride

N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride (PubChem CID 142688788) has the molecular formula C32H36ClN5O4S and a molecular weight of 622.19 g/mol. Its IUPAC name is N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride
PubChem CID142688788
Molecular FormulaC32H36ClN5O4S
Molecular Weight622.19 g/mol
Exact Mass621.22
IUPAC NameN-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(Nc4ccc(C(=O)NCc5ccccc5)cc4)CC3)cn2)cc1.Cl
InChIInChI=1S/C32H35N5O4S.ClH/c1-42(39,40)36-29-12-14-30(15-13-29)41-31-16-7-25(22-33-31)23-37-19-17-28(18-20-37)35-27-10-8-26(9-11-27)32(38)34-21-24-5-3-2-4-6-24;/h2-16,22,28,35-36H,17-21,23H2,1H3,(H,34,38);1H
InChIKeyVZMBEFFXSFCITI-UHFFFAOYSA-N
XLogP5.67
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.19
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride with MolForge

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Related Compounds

4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
CID 142688795
N-(2,4-difluorophenyl)-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide
CID 142688706
N-(3-fluoro-4-methoxyphenyl)-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide
CID 142688507
1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1,3-diphenylurea
CID 66814655
N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride
CID 142688693
3-(3,4-difluorophenyl)-1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1-phenylurea;hydrochloride
CID 66814459
1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-3-(4-methylsulfonylphenyl)-1-phenylurea
CID 66814638
N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N,2-diphenylpropanamide
CID 67335441
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67038236
N-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenyl-2,3-dihydro-1H-indene-1-carboxamide
CID 67334911
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride?
The IUPAC name of N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride (CID 142688788) is N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride?
The canonical SMILES for N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCC(Nc4ccc(C(=O)NCc5ccccc5)cc4)CC3)cn2)cc1.Cl.
What is the InChIKey of N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride?
The InChIKey is VZMBEFFXSFCITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4S.ClH/c1-42(39,40)36-29-12-14-30(15-13-29)41-31-16-7-25(22-33-31)23-37-19-17-28(18-20-37)35-27-10-8-26(9-11-27)32(38)34-21-24-5-3-2-4-6-24;/h2-16,22,28,35-36H,17-21,23H2,1H3,(H,34,38);1H.
What are the key properties of N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride?
N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride has a molecular weight of 622.19 g/mol, XLogP of 5.67, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride is sourced from PubChem (CID 142688788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).