N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

C22H29N3O5S — CID 56551947

IUPACN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC
InChIInChI=1S/C22H29N3O5S/c1-23-31(28,29)21-13-18(7-8-20(21)30-2)22(27)24-14-16-3-5-17(6-4-16)15-25-11-9-19(26)10-12-25/h3-8,13,19,23,26H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyZULSSVLIXKRYBM-UHFFFAOYSA-N
MW447.56 g/mol
LogP1.49
Rot. Bonds8

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (PubChem CID 56551947) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
PubChem CID56551947
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC
InChIInChI=1S/C22H29N3O5S/c1-23-31(28,29)21-13-18(7-8-20(21)30-2)22(27)24-14-16-3-5-17(6-4-16)15-25-11-9-19(26)10-12-25/h3-8,13,19,23,26H,9-12,14-15H2,1-2H3,(H,24,27)
InChIKeyZULSSVLIXKRYBM-UHFFFAOYSA-N
XLogP1.49
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 56552055
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55947605
N-[(4-cyanophenyl)methyl]-3-(cyclopropylsulfamoyl)-4-methoxybenzamide
CID 46591175
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-(methylsulfamoyl)benzamide
CID 40742173
4-methoxy-N-[(4-methylphenyl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2694604
N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide
CID 23108978
5-chloro-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-propan-2-yloxybenzamide
CID 56552188

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide (CID 56551947) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)ccc1OC.
What is the InChIKey of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
The InChIKey is ZULSSVLIXKRYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-23-31(28,29)21-13-18(7-8-20(21)30-2)22(27)24-14-16-3-5-17(6-4-16)15-25-11-9-19(26)10-12-25/h3-8,13,19,23,26H,9-12,14-15H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide?
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide has a molecular weight of 447.56 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide is sourced from PubChem (CID 56551947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).