N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

C11H20ClN3O3S2 — CID 119988458

IUPACN-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCC(C)(C)N)s1.Cl
InChIInChI=1S/C11H19N3O3S2.ClH/c1-8(15)13-6-9-4-5-10(18-9)19(16,17)14-7-11(2,3)12;/h4-5,14H,6-7,12H2,1-3H3,(H,13,15);1H
InChIKeyBMMOSAVOMKZXQG-UHFFFAOYSA-N
MW341.89 g/mol
LogP0.82
Rot. Bonds6

About N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride

N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (PubChem CID 119988458) has the molecular formula C11H20ClN3O3S2 and a molecular weight of 341.89 g/mol. Its IUPAC name is N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
PubChem CID119988458
Molecular FormulaC11H20ClN3O3S2
Molecular Weight341.89 g/mol
Exact Mass341.06
IUPAC NameN-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
SMILESCC(=O)NCc1ccc(S(=O)(=O)NCC(C)(C)N)s1.Cl
InChIInChI=1S/C11H19N3O3S2.ClH/c1-8(15)13-6-9-4-5-10(18-9)19(16,17)14-7-11(2,3)12;/h4-5,14H,6-7,12H2,1-3H3,(H,13,15);1H
InChIKeyBMMOSAVOMKZXQG-UHFFFAOYSA-N
XLogP0.82
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-methylpropyl)-5-ethylthiophene-2-sulfonamide
CID 115303410
N-[[5-(2-methoxyethylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 30180963
2-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120831726
N-[[5-[(4-methylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553822
N-[[5-[2-(4-methoxyphenyl)ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 60516900
N-[[5-[2-[4-(2-methylpropoxy)phenyl]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 86896965
N-[[5-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122293527
N-[[5-[[4-(methoxymethyl)piperidin-4-yl]methylsulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride
CID 120896924
N-[[5-[3-[benzyl(methyl)amino]propylsulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55435788
ethyl 4-[[5-(acetamidomethyl)thiophen-2-yl]sulfonylamino]benzoate
CID 16553849
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

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride (CID 119988458) is N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is CC(=O)NCc1ccc(S(=O)(=O)NCC(C)(C)N)s1.Cl.
What is the InChIKey of N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
The InChIKey is BMMOSAVOMKZXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2.ClH/c1-8(15)13-6-9-4-5-10(18-9)19(16,17)14-7-11(2,3)12;/h4-5,14H,6-7,12H2,1-3H3,(H,13,15);1H.
What are the key properties of N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride?
N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-amino-2-methylpropyl)sulfamoyl]thiophen-2-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 119988458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).