3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

C26H37N3O4S — CID 46477201

IUPAC3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCC(C)CC2)ccc1OC
InChIInChI=1S/C26H37N3O4S/c1-5-29(6-2)34(31,32)25-17-21(11-12-24(25)33-4)26(30)27-18-22-9-7-8-10-23(22)19-28-15-13-20(3)14-16-28/h7-12,17,20H,5-6,13-16,18-19H2,1-4H3,(H,27,30)
InChIKeyLBWZAZKCIHFWJQ-UHFFFAOYSA-N
MW487.67 g/mol
LogP3.89
Rot. Bonds10

About 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide

3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 46477201) has the molecular formula C26H37N3O4S and a molecular weight of 487.67 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID46477201
Molecular FormulaC26H37N3O4S
Molecular Weight487.67 g/mol
Exact Mass487.25
IUPAC Name3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCC(C)CC2)ccc1OC
InChIInChI=1S/C26H37N3O4S/c1-5-29(6-2)34(31,32)25-17-21(11-12-24(25)33-4)26(30)27-18-22-9-7-8-10-23(22)19-28-15-13-20(3)14-16-28/h7-12,17,20H,5-6,13-16,18-19H2,1-4H3,(H,27,30)
InChIKeyLBWZAZKCIHFWJQ-UHFFFAOYSA-N
XLogP3.89
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46470054
4-ethoxy-3-methoxy-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 9143127
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851
3-(diethylsulfamoyl)-4-methoxy-N-prop-2-ynylbenzamide
CID 18109975
N-(dicyclopropylmethyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 24620703
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55710130
3-(cyclopropanecarbonylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46466905
3-(dimethylsulfamoyl)-4-methoxy-N-(naphthalen-1-ylmethyl)benzamide
CID 99589028
N-(2-benzylphenyl)-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 26880143
N-[[4-(carbamoylamino)phenyl]methyl]-3-(diethylsulfamoyl)-4-methoxybenzamide
CID 46519693
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
3-(diethylsulfamoyl)-4-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55980552

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide (CID 46477201) is 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccccc2CN2CCC(C)CC2)ccc1OC.
What is the InChIKey of 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is LBWZAZKCIHFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4S/c1-5-29(6-2)34(31,32)25-17-21(11-12-24(25)33-4)26(30)27-18-22-9-7-8-10-23(22)19-28-15-13-20(3)14-16-28/h7-12,17,20H,5-6,13-16,18-19H2,1-4H3,(H,27,30).
What are the key properties of 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 487.67 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoyl)-4-methoxy-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 46477201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).