5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide

C23H31N3O4S — CID 56552234

IUPAC5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-3-25-31(29,30)21-9-4-17(2)22(14-21)23(28)24-15-18-5-7-19(8-6-18)16-26-12-10-20(27)11-13-26/h4-9,14,20,25,27H,3,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeyMVRWCLOJLIAIDL-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.18
Rot. Bonds8

About 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide

5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide (PubChem CID 56552234) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
PubChem CID56552234
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide
SMILESCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1
InChIInChI=1S/C23H31N3O4S/c1-3-25-31(29,30)21-9-4-17(2)22(14-21)23(28)24-15-18-5-7-19(8-6-18)16-26-12-10-20(27)11-13-26/h4-9,14,20,25,27H,3,10-13,15-16H2,1-2H3,(H,24,28)
InChIKeyMVRWCLOJLIAIDL-UHFFFAOYSA-N
XLogP2.18
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043536
5-(ethylsulfamoyl)-2-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55754112
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767783
5-(ethylsulfamoyl)-N,2-dimethylbenzamide
CID 6461284
6-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylquinoline-3-carboxamide
CID 56551657
N-(2-aminoethyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 119382412
N-[(3-acetamidophenyl)methyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 39573261
N-butyl-5-(ethylsulfamoyl)-2-methylbenzamide
CID 35710044
5-amino-2-methyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 120647867
5-(ethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500419
N-[2-[(2-chlorobenzoyl)amino]ethyl]-5-(ethylsulfamoyl)-2-methylbenzamide
CID 55659290
5-(ethylsulfamoyl)-2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55747623

Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The IUPAC name of 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide (CID 56552234) is 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide.
What is the SMILES notation for 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The canonical SMILES for 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide is CCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c1.
What is the InChIKey of 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
The InChIKey is MVRWCLOJLIAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-3-25-31(29,30)21-9-4-17(2)22(14-21)23(28)24-15-18-5-7-19(8-6-18)16-26-12-10-20(27)11-13-26/h4-9,14,20,25,27H,3,10-13,15-16H2,1-2H3,(H,24,28).
What are the key properties of 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide?
5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide has a molecular weight of 445.59 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfamoyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methylbenzamide is sourced from PubChem (CID 56552234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).