N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide

C19H31N3O3S — CID 8558337

IUPACN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-22(5-2)26(24,25)18-8-6-17(7-9-18)14-20-19(23)15-21-12-10-16(3)11-13-21/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyHVIXBWSWDXBMMA-UHFFFAOYSA-N
MW381.54 g/mol
LogP2.07
Rot. Bonds8

About N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8558337) has the molecular formula C19H31N3O3S and a molecular weight of 381.54 g/mol. Its IUPAC name is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8558337
Molecular FormulaC19H31N3O3S
Molecular Weight381.54 g/mol
Exact Mass381.21
IUPAC NameN-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C19H31N3O3S/c1-4-22(5-2)26(24,25)18-8-6-17(7-9-18)14-20-19(23)15-21-12-10-16(3)11-13-21/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23)
InChIKeyHVIXBWSWDXBMMA-UHFFFAOYSA-N
XLogP2.07
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.54
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
N-[[4-(diethylsulfamoyl)phenyl]methyl]cyclobutanecarboxamide
CID 8820497
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]acetamide
CID 25363603
cis-[2-[[4-(diethylsulfamoyl)phenyl]methylamino]-2-oxoethyl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 9230601
N-[4-(diethylsulfamoyl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2681860
3-[4-(diethylsulfamoyl)phenyl]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 28562876
N-[4-(diethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 8901829
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 112832261

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 8558337) is N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CN2CCC(C)CC2)cc1.
What is the InChIKey of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is HVIXBWSWDXBMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3S/c1-4-22(5-2)26(24,25)18-8-6-17(7-9-18)14-20-19(23)15-21-12-10-16(3)11-13-21/h6-9,16H,4-5,10-15H2,1-3H3,(H,20,23).
What are the key properties of N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 381.54 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8558337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).