N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide

C21H27N3O3S — CID 108782317

IUPACN-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-11-13-24(14-12-16)15-18-3-5-20(6-4-18)23-28(26,27)21-9-7-19(8-10-21)22-17(2)25/h3-10,16,23H,11-15H2,1-2H3,(H,22,25)
InChIKeyGMNRKUSASGJTGB-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.68
Rot. Bonds6

About N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 108782317) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
PubChem CID108782317
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C21H27N3O3S/c1-16-11-13-24(14-12-16)15-18-3-5-20(6-4-18)23-28(26,27)21-9-7-19(8-10-21)22-17(2)25/h3-10,16,23H,11-15H2,1-2H3,(H,22,25)
InChIKeyGMNRKUSASGJTGB-UHFFFAOYSA-N
XLogP3.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99949801
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92671720
N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 99959632
N-[4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]acetamide
CID 26531816
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45021390
4-[(4-methylpiperidin-1-yl)methyl]benzenesulfonic acid
CID 94830309
1-benzyl-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]piperidine-4-carboxamide
CID 45019498
3-(benzenesulfonamido)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 60517587
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide (CID 108782317) is N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CN3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is GMNRKUSASGJTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-16-11-13-24(14-12-16)15-18-3-5-20(6-4-18)23-28(26,27)21-9-7-19(8-10-21)22-17(2)25/h3-10,16,23H,11-15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 401.53 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 108782317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).