2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide

C15H20N2O2S2 — CID 110289700

IUPAC2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CC(C)C)c1nccs1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)10-13(15-16-8-9-20-15)17-21(18,19)14-7-5-4-6-12(14)3/h4-9,11,13,17H,10H2,1-3H3
InChIKeyHYDFVVQHWIODAE-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide

2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide (PubChem CID 110289700) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
PubChem CID110289700
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NC(CC(C)C)c1nccs1
InChIInChI=1S/C15H20N2O2S2/c1-11(2)10-13(15-16-8-9-20-15)17-21(18,19)14-7-5-4-6-12(14)3/h4-9,11,13,17H,10H2,1-3H3
InChIKeyHYDFVVQHWIODAE-UHFFFAOYSA-N
XLogP3.52
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide
CID 110289684
1-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]-2-oxo-3H-indole-5-sulfonamide
CID 110289697
2,5-dibromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 81435158
3-amino-2,5-dimethyl-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79884780
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]acetamide
CID 110628550
2-cyano-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 106545998
N-[(1R)-1-(1,3-thiazol-2-yl)propyl]ethanesulfonamide
CID 124506403
5-bromo-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 79941148
4-(aminomethyl)-2-fluoro-N-[1-(1,3-thiazol-2-yl)propyl]benzenesulfonamide
CID 79180058
1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
CID 110628623
N-[1-(dimethylamino)propan-2-yl]-2-methylbenzenesulfonamide
CID 82949892
5-ethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]thiophene-2-sulfonamide
CID 124595092

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide (CID 110289700) is 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NC(CC(C)C)c1nccs1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
The InChIKey is HYDFVVQHWIODAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11(2)10-13(15-16-8-9-20-15)17-21(18,19)14-7-5-4-6-12(14)3/h4-9,11,13,17H,10H2,1-3H3.
What are the key properties of 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide?
2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 110289700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).