N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide

C14H22N2O4S — CID 61425416

IUPACN-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCCCN(CCO)S(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-8-16(9-10-17)21(19,20)14-6-4-13(5-7-14)11-15-12(2)18/h4-7,17H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyCAYBWPLBBACPRE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.72
Rot. Bonds8

About N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide

N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide (PubChem CID 61425416) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide
PubChem CID61425416
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC NameN-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide
SMILESCCCN(CCO)S(=O)(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-8-16(9-10-17)21(19,20)14-6-4-13(5-7-14)11-15-12(2)18/h4-7,17H,3,8-11H2,1-2H3,(H,15,18)
InChIKeyCAYBWPLBBACPRE-UHFFFAOYSA-N
XLogP0.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(methylaminomethyl)-N-propylbenzenesulfonamide
CID 60823564
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
N-[4-[ethyl(2-hydroxyethyl)sulfamoyl]phenyl]acetamide
CID 39387601
N-butyl-4-(2-chloroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 60958697
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
5-[2-hydroxyethyl(propyl)sulfamoyl]-2-methylbenzoic acid
CID 60951704
N-[[5-(dipropylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30963365
N-benzyl-2-[(4-chlorophenyl)sulfonyl-propylamino]acetamide
CID 29281469
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
1-benzyl-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 41249851
N-[3-[[4-(acetamidomethyl)phenyl]sulfonyl-methylamino]propyl]prop-2-enamide
CID 89237601
4-(2-chloroethyl)-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 54877176

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide (CID 61425416) is N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide is CCCN(CCO)S(=O)(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide?
The InChIKey is CAYBWPLBBACPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-8-16(9-10-17)21(19,20)14-6-4-13(5-7-14)11-15-12(2)18/h4-7,17H,3,8-11H2,1-2H3,(H,15,18).
What are the key properties of N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide?
N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide has a molecular weight of 314.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-hydroxyethyl(propyl)sulfamoyl]phenyl]methyl]acetamide is sourced from PubChem (CID 61425416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).