N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide

C16H22N2O2S2 — CID 112503228

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H22N2O2S2/c1-13-7-4-5-8-14(13)12-22(19,20)17-11-15(18(2)3)16-9-6-10-21-16/h4-10,15,17H,11-12H2,1-3H3
InChIKeyGAUPUEZXANKQEW-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.78
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 112503228) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID112503228
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(c1cccs1)N(C)C
InChIInChI=1S/C16H22N2O2S2/c1-13-7-4-5-8-14(13)12-22(19,20)17-11-15(18(2)3)16-9-6-10-21-16/h4-10,15,17H,11-12H2,1-3H3
InChIKeyGAUPUEZXANKQEW-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-phenylpropane-1-sulfonamide
CID 112503232
N,N-dimethyl-N'-(methylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621528
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112506792
N,N-dimethyl-N'-(propan-2-ylsulfamoyl)-1-thiophen-2-ylethane-1,2-diamine
CID 110621531
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 45003164
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 30835815
2-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methylbenzenesulfonamide
CID 51339573
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 46522932
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-8-methylquinoline-5-sulfonamide
CID 134002347
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-propan-2-yloxybenzenesulfonamide
CID 112503236
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 112503984

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide (CID 112503228) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC(c1cccs1)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is GAUPUEZXANKQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-13-7-4-5-8-14(13)12-22(19,20)17-11-15(18(2)3)16-9-6-10-21-16/h4-10,15,17H,11-12H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 338.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 112503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).