2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C25H34ClN3O3S — CID 46470054

IUPAC2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1
InChIInChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)22-10-11-24(26)23(16-22)25(30)27-17-20-8-6-7-9-21(20)18-28-14-12-19(3)13-15-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyUQDMQNNRHTVASK-UHFFFAOYSA-N
MW492.09 g/mol
LogP4.53
Rot. Bonds9

About 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46470054) has the molecular formula C25H34ClN3O3S and a molecular weight of 492.09 g/mol. Its IUPAC name is 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46470054
Molecular FormulaC25H34ClN3O3S
Molecular Weight492.09 g/mol
Exact Mass491.20
IUPAC Name2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1
InChIInChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)22-10-11-24(26)23(16-22)25(30)27-17-20-8-6-7-9-21(20)18-28-14-12-19(3)13-15-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyUQDMQNNRHTVASK-UHFFFAOYSA-N
XLogP4.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.09
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 46579609
3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46477201
N-benzyl-2-chloro-5-(diethylsulfamoyl)benzamide
CID 1121797
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847
2-chloro-5-(diethylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 7732727
2-chloro-5-(diethylsulfamoyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]benzamide
CID 31217476
2-chloro-5-(diethylsulfamoyl)-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46387538
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 42145597
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46470054) is 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccccc2CN2CCC(C)CC2)c1.
What is the InChIKey of 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is UQDMQNNRHTVASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O3S/c1-4-29(5-2)33(31,32)22-10-11-24(26)23(16-22)25(30)27-17-20-8-6-7-9-21(20)18-28-14-12-19(3)13-15-28/h6-11,16,19H,4-5,12-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 492.09 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46470054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).