N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide

C12H19N3O3S — CID 43602837

IUPACN-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
SMILESCNCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-8-13-2/h4-7,13-14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyONFWIXZXPNHNQB-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.53
Rot. Bonds7

About N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide

N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide (PubChem CID 43602837) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
PubChem CID43602837
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC NameN-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide
SMILESCNCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H19N3O3S/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-8-13-2/h4-7,13-14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyONFWIXZXPNHNQB-UHFFFAOYSA-N
XLogP0.53
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(methylamino)propylsulfamoyl]phenyl]propanamide
CID 119964786
4-[(4-acetamidophenyl)sulfonylamino]butanoate
CID 2385404
N-[4-(6-chlorohexylsulfamoyl)phenyl]acetamide
CID 107849118
N-[4-(4-aminobutylsulfamoyl)phenyl]acetamide;hydrochloride
CID 120583378
N-[4-(hex-5-ynylsulfamoyl)phenyl]acetamide
CID 103756998
N-[4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3728268
N-[4-[3-[dimethoxy(methyl)silyl]propylsulfamoyl]phenyl]acetamide
CID 58129736
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
N-[4-[[4-(propylsulfamoyl)phenyl]sulfamoyl]phenyl]acetamide
CID 2134216
N-[4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]phenyl]acetamide
CID 115302862
N-[4-[[(E)-pent-3-enyl]sulfamoyl]phenyl]acetamide
CID 115628736
N-[4-[2-(4-methylphenoxy)ethylsulfamoyl]phenyl]acetamide
CID 2604521

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide (CID 43602837) is N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide is CNCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide?
The InChIKey is ONFWIXZXPNHNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-10(16)15-11-4-6-12(7-5-11)19(17,18)14-9-3-8-13-2/h4-7,13-14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide?
N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide has a molecular weight of 285.37 g/mol, XLogP of 0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)propylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43602837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).