2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide

C15H20N2O2S2 — CID 107329045

IUPAC2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2cscc2C)c(C)c1
InChIInChI=1S/C15H20N2O2S2/c1-10-5-14(16-4)6-11(2)15(10)21(18,19)17-7-13-9-20-8-12(13)3/h5-6,8-9,16-17H,7H2,1-4H3
InChIKeyRIDMHUHEHRBWAG-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.19
Rot. Bonds5

About 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide

2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide (PubChem CID 107329045) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
PubChem CID107329045
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
SMILESCNc1cc(C)c(S(=O)(=O)NCc2cscc2C)c(C)c1
InChIInChI=1S/C15H20N2O2S2/c1-10-5-14(16-4)6-11(2)15(10)21(18,19)17-7-13-9-20-8-12(13)3/h5-6,8-9,16-17H,7H2,1-4H3
InChIKeyRIDMHUHEHRBWAG-UHFFFAOYSA-N
XLogP3.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(methylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 107328854
3-amino-5-fluoro-4-methyl-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 116792020
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
3-chloro-4-(methylaminomethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 107091563
2,6-dimethyl-4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 107329060
2,3-difluoro-5-(hydroxymethyl)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 105117623
2,6-dimethyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 107328926
2-amino-5-bromo-4-fluoro-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide
CID 106491931
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-4-nitrothiophene-2-sulfonamide
CID 80742321
2-amino-N-methyl-4-[(4-methylthiophen-3-yl)methylamino]benzenesulfonamide
CID 80646024
2-[[2,6-dimethyl-4-(methylamino)phenyl]sulfonylamino]-N-propylacetamide
CID 107328705
2,6-dimethyl-4-(methylamino)-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106331213

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide (CID 107329045) is 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide is CNc1cc(C)c(S(=O)(=O)NCc2cscc2C)c(C)c1.
What is the InChIKey of 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
The InChIKey is RIDMHUHEHRBWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-10-5-14(16-4)6-11(2)15(10)21(18,19)17-7-13-9-20-8-12(13)3/h5-6,8-9,16-17H,7H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide?
2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide has a molecular weight of 324.47 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(methylamino)-N-[(4-methylthiophen-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107329045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).