N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide

C18H25N3O3S2 — CID 55435788

IUPACN-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)s1
InChIInChI=1S/C18H25N3O3S2/c1-15(22)19-13-17-9-10-18(25-17)26(23,24)20-11-6-12-21(2)14-16-7-4-3-5-8-16/h3-5,7-10,20H,6,11-14H2,1-2H3,(H,19,22)
InChIKeyWLRWYQQTSBDUHA-UHFFFAOYSA-N
MW395.55 g/mol
LogP2.18
Rot. Bonds10

About N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide

N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide (PubChem CID 55435788) has the molecular formula C18H25N3O3S2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
PubChem CID55435788
Molecular FormulaC18H25N3O3S2
Molecular Weight395.55 g/mol
Exact Mass395.13
IUPAC NameN-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)s1
InChIInChI=1S/C18H25N3O3S2/c1-15(22)19-13-17-9-10-18(25-17)26(23,24)20-11-6-12-21(2)14-16-7-4-3-5-8-16/h3-5,7-10,20H,6,11-14H2,1-2H3,(H,19,22)
InChIKeyWLRWYQQTSBDUHA-UHFFFAOYSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
4-chloro-N-[[5-[3-[hexyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]benzamide
CID 10227995
N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
CID 110446606
N-[[5-(2,3-dihydro-1,4-benzodioxin-3-ylmethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 47006141
N-[[5-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 39793291
N-[[5-[1-(4-phenylphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 42918243
N-[[5-[(4-methoxyphenyl)methyl-methylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55353278
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86896965
2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831726

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide (CID 55435788) is N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide is CC(=O)NCc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)s1.
What is the InChIKey of N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide?
The InChIKey is WLRWYQQTSBDUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S2/c1-15(22)19-13-17-9-10-18(25-17)26(23,24)20-11-6-12-21(2)14-16-7-4-3-5-8-16/h3-5,7-10,20H,6,11-14H2,1-2H3,(H,19,22).
What are the key properties of N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide?
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide has a molecular weight of 395.55 g/mol, XLogP of 2.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide is sourced from PubChem (CID 55435788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).