N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide

C13H21N3O3S — CID 115302862

IUPACN-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(8-14-3)9-15-20(18,19)13-6-4-12(5-7-13)16-11(2)17/h4-7,10,14-15H,8-9H2,1-3H3,(H,16,17)
InChIKeyGYZCMZKZLPLGRQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.78
Rot. Bonds7

About N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide (PubChem CID 115302862) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
PubChem CID115302862
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC NameN-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
SMILESCNCC(C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H21N3O3S/c1-10(8-14-3)9-15-20(18,19)13-6-4-12(5-7-13)16-11(2)17/h4-7,10,14-15H,8-9H2,1-3H3,(H,16,17)
InChIKeyGYZCMZKZLPLGRQ-UHFFFAOYSA-N
XLogP0.78
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-[4-[(2-bromo-4-methylpentyl)sulfamoyl]phenyl]acetamide
CID 107158226
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
CID 43602837
N-[4-[[4-(propan-2-ylamino)phenyl]sulfamoyl]phenyl]acetamide
CID 112979916
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
2-methyl-3-(methylamino)-N-[4-(methylsulfamoyl)phenyl]propanamide
CID 79196433
N-[2-methyl-3-(methylamino)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 115302773
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide (CID 115302862) is N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide is CNCC(C)CNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide?
The InChIKey is GYZCMZKZLPLGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-10(8-14-3)9-15-20(18,19)13-6-4-12(5-7-13)16-11(2)17/h4-7,10,14-15H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide has a molecular weight of 299.40 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 115302862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).