3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

C15H20N2O2S2 — CID 61450031

IUPAC3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(Cc2cccs2)C(C)C)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)17(10-14-5-4-6-20-14)21(18,19)15-8-12(3)7-13(16)9-15/h4-9,11H,10,16H2,1-3H3
InChIKeyMBUIEXUQNCOAOS-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.24
Rot. Bonds5

About 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 61450031) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID61450031
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)N(Cc2cccs2)C(C)C)c1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)17(10-14-5-4-6-20-14)21(18,19)15-8-12(3)7-13(16)9-15/h4-9,11H,10,16H2,1-3H3
InChIKeyMBUIEXUQNCOAOS-UHFFFAOYSA-N
XLogP3.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide 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

2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridine-4-sulfonamide
CID 61452159
2-amino-4-bromo-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 61450114
N-propan-2-yl-N-(thiophen-2-ylmethyl)propane-2-sulfonamide
CID 61395279
3-amino-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylbenzenesulfonamide
CID 55001335
4-methyl-2-oxo-N-propan-2-yl-N-(thiophen-2-ylmethyl)-3H-1,3-thiazole-5-sulfonamide
CID 61455518
3-amino-5-fluoro-N-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79475968
5-[propan-2-yl(thiophen-2-ylmethyl)sulfamoyl]-1H-pyrazole-3-carboxylic acid
CID 166390232
3-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43384051
3-amino-N-[(3-fluorophenyl)methyl]-N,5-dimethylbenzenesulfonamide
CID 43256607
2,4-diamino-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzamide
CID 61449973
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
4-(1-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43527794

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 61450031) is 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)N(Cc2cccs2)C(C)C)c1.
What is the InChIKey of 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is MBUIEXUQNCOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(2)17(10-14-5-4-6-20-14)21(18,19)15-8-12(3)7-13(16)9-15/h4-9,11H,10,16H2,1-3H3.
What are the key properties of 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61450031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).