N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride

C32H35ClFN5O5S — CID 142688693

IUPACN-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride
SMILESCOc1c(NC2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3)CC2)cccc1C(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C32H34FN5O5S.ClH/c1-42-31-28(32(39)36-24-9-7-23(33)8-10-24)4-3-5-29(31)35-25-16-18-38(19-17-25)21-22-6-15-30(34-20-22)43-27-13-11-26(12-14-27)37-44(2,40)41;/h3-15,20,25,35,37H,16-19,21H2,1-2H3,(H,36,39);1H
InChIKeyKGSKHZZWPCAMMH-UHFFFAOYSA-N
MW656.18 g/mol
LogP6.14
Rot. Bonds11

About N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride

N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride (PubChem CID 142688693) has the molecular formula C32H35ClFN5O5S and a molecular weight of 656.18 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride
PubChem CID142688693
Molecular FormulaC32H35ClFN5O5S
Molecular Weight656.18 g/mol
Exact Mass655.20
IUPAC NameN-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride
SMILESCOc1c(NC2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3)CC2)cccc1C(=O)Nc1ccc(F)cc1.Cl
InChIInChI=1S/C32H34FN5O5S.ClH/c1-42-31-28(32(39)36-24-9-7-23(33)8-10-24)4-3-5-29(31)35-25-16-18-38(19-17-25)21-22-6-15-30(34-20-22)43-27-13-11-26(12-14-27)37-44(2,40)41;/h3-15,20,25,35,37H,16-19,21H2,1-2H3,(H,36,39);1H
InChIKeyKGSKHZZWPCAMMH-UHFFFAOYSA-N
XLogP6.14
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.18
LogP ≤ 56.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-3-[[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]amino]-2-methylbenzamide
CID 142676850
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-(4-fluorophenyl)-2-[[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]amino]-6-methylsulfanylbenzamide;hydrochloride
CID 142688546
N-(3-fluoro-4-methoxyphenyl)-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide
CID 142688507
1-(3-fluorophenyl)-1-(4-fluorophenyl)-3-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 142688733
N-benzyl-4-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]benzamide;hydrochloride
CID 142688788
2-(3-fluorophenyl)-2-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-N-phenylacetamide
CID 67335960
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(4-fluorophenyl)-1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]urea
CID 66813795
1-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1,3-diphenylurea
CID 66814655
3-(4-fluorophenyl)-1-[1-[[6-[4-(methanesulfonamido)-2-methoxyphenoxy]-3-pyridinyl]methyl]piperidin-4-yl]-1-phenylurea;hydrochloride
CID 66813810
2-fluoro-5-[[(3-fluorophenyl)-[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]carbamoyl]amino]benzamide;hydrochloride
CID 66813814

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride (CID 142688693) is N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride is COc1c(NC2CCN(Cc3ccc(Oc4ccc(NS(C)(=O)=O)cc4)nc3)CC2)cccc1C(=O)Nc1ccc(F)cc1.Cl.
What is the InChIKey of N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride?
The InChIKey is KGSKHZZWPCAMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN5O5S.ClH/c1-42-31-28(32(39)36-24-9-7-23(33)8-10-24)4-3-5-29(31)35-25-16-18-38(19-17-25)21-22-6-15-30(34-20-22)43-27-13-11-26(12-14-27)37-44(2,40)41;/h3-15,20,25,35,37H,16-19,21H2,1-2H3,(H,36,39);1H.
What are the key properties of N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride?
N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride has a molecular weight of 656.18 g/mol, XLogP of 6.14, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[[1-[[6-[4-(methanesulfonamido)phenoxy]-3-pyridinyl]methyl]piperidin-4-yl]amino]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 142688693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).