N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide

C16H22N2O2S2 — CID 120895933

IUPACN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2O2S2/c1-13-12-16(14(2)21-13)22(19,20)18(11-9-17)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,17H2,1-2H3
InChIKeyZBKSIJPNVNLKQX-UHFFFAOYSA-N
MW338.50 g/mol
LogP2.56
Rot. Bonds7

About N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide (PubChem CID 120895933) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
PubChem CID120895933
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1
InChIInChI=1S/C16H22N2O2S2/c1-13-12-16(14(2)21-13)22(19,20)18(11-9-17)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,17H2,1-2H3
InChIKeyZBKSIJPNVNLKQX-UHFFFAOYSA-N
XLogP2.56
TPSA63.40 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide 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-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
CID 120895932
N-(2-aminoethyl)-2-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-2,4-difluoro-5-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895249
N-(2-aminoethyl)-4,5-dimethyl-N-(2-phenylethyl)-1,3-thiazole-2-sulfonamide;hydrochloride
CID 120895309
N-(2-aminoethyl)-2,4-dimethyl-N-(2-phenylethyl)-1,3-thiazole-5-sulfonamide
CID 120895810
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895705
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 120895674
N-(2-aminoethyl)-2,6-dimethyl-4-nitro-N-(2-phenylethyl)benzenesulfonamide
CID 120895640
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide (CID 120895933) is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1.
What is the InChIKey of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
The InChIKey is ZBKSIJPNVNLKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-13-12-16(14(2)21-13)22(19,20)18(11-9-17)10-8-15-6-4-3-5-7-15/h3-7,12H,8-11,17H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide?
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 120895933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).