4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride

C25H29ClN4O4S — CID 67037712

IUPAC4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1.Cl
InChIInChI=1S/C25H28N4O4S.ClH/c1-34(31,32)27-22-9-13-24(14-10-22)33-23-11-7-20(8-12-23)19-28-15-17-29(18-16-28)25(30)26-21-5-3-2-4-6-21;/h2-14,27H,15-19H2,1H3,(H,26,30);1H
InChIKeyFMYFTEUZSZYZCS-UHFFFAOYSA-N
MW517.05 g/mol
LogP4.62
Rot. Bonds7

About 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride

4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride (PubChem CID 67037712) has the molecular formula C25H29ClN4O4S and a molecular weight of 517.05 g/mol. Its IUPAC name is 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
PubChem CID67037712
Molecular FormulaC25H29ClN4O4S
Molecular Weight517.05 g/mol
Exact Mass516.16
IUPAC Name4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1.Cl
InChIInChI=1S/C25H28N4O4S.ClH/c1-34(31,32)27-22-9-13-24(14-10-22)33-23-11-7-20(8-12-23)19-28-15-17-29(18-16-28)25(30)26-21-5-3-2-4-6-21;/h2-14,27H,15-19H2,1H3,(H,26,30);1H
InChIKeyFMYFTEUZSZYZCS-UHFFFAOYSA-N
XLogP4.62
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.05
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-[4-[4-[(4-oxopiperidin-1-yl)methyl]phenoxy]phenyl]methanesulfonamide
CID 58688842
4-[[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]carbamoylamino]benzoic acid
CID 67038828
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea;hydrochloride
CID 67038236
1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]-3-phenylmethoxyurea;hydrochloride
CID 87244873
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
2-[[3-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-3-azabicyclo[3.2.1]octan-8-yl]amino]-N-phenylpentanamide
CID 142676927
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
1-(4-hydroxyphenyl)-3-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038572

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride (CID 67037712) is 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride is CS(=O)(=O)Nc1ccc(Oc2ccc(CN3CCN(C(=O)Nc4ccccc4)CC3)cc2)cc1.Cl.
What is the InChIKey of 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride?
The InChIKey is FMYFTEUZSZYZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S.ClH/c1-34(31,32)27-22-9-13-24(14-10-22)33-23-11-7-20(8-12-23)19-28-15-17-29(18-16-28)25(30)26-21-5-3-2-4-6-21;/h2-14,27H,15-19H2,1H3,(H,26,30);1H.
What are the key properties of 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride?
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride has a molecular weight of 517.05 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 67037712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).