N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide

C13H19N3O4S — CID 59767929

IUPACN-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCNC(=O)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)15-9-8-11-4-6-12(7-5-11)21(19,20)16(3)13(18)14-2/h4-7H,8-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyYRLALVTZNXFIMS-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.33
Rot. Bonds5

About N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide

N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide (PubChem CID 59767929) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide
PubChem CID59767929
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide
SMILESCNC(=O)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)cc1
InChIInChI=1S/C13H19N3O4S/c1-10(17)15-9-8-11-4-6-12(7-5-11)21(19,20)16(3)13(18)14-2/h4-7H,8-9H2,1-3H3,(H,14,18)(H,15,17)
InChIKeyYRLALVTZNXFIMS-UHFFFAOYSA-N
XLogP0.33
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
2-[4-(dimethylsulfamoyl)phenyl]-N-(2-phenylethyl)acetamide
CID 110674498
3-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-1-methyl-1-(3-phenylpropyl)urea
CID 142727616
N-[2-(4-chlorophenyl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 2468773
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
CID 15716436
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
N-[2-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]ethyl]acetamide
CID 70638199
N-[2-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-phenylpentanamide
CID 142727630
[2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-methylsulfonylbenzoate
CID 9457981
N-[2-[4-[(2,4-difluorophenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618454

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide (CID 59767929) is N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide is CNC(=O)N(C)S(=O)(=O)c1ccc(CCNC(C)=O)cc1.
What is the InChIKey of N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide?
The InChIKey is YRLALVTZNXFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-10(17)15-9-8-11-4-6-12(7-5-11)21(19,20)16(3)13(18)14-2/h4-7H,8-9H2,1-3H3,(H,14,18)(H,15,17).
What are the key properties of N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide?
N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[methyl(methylcarbamoyl)sulfamoyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 59767929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).