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

C16H23ClN2O2S2 — CID 120895932

IUPACN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1.Cl
InChIInChI=1S/C16H22N2O2S2.ClH/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;1H
InChIKeyYZVGCLXZBQTKDU-UHFFFAOYSA-N
MW374.96 g/mol
LogP2.98
Rot. Bonds7

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

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride (PubChem CID 120895932) has the molecular formula C16H23ClN2O2S2 and a molecular weight of 374.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
PubChem CID120895932
Molecular FormulaC16H23ClN2O2S2
Molecular Weight374.96 g/mol
Exact Mass374.09
IUPAC NameN-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1.Cl
InChIInChI=1S/C16H22N2O2S2.ClH/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;1H
InChIKeyYZVGCLXZBQTKDU-UHFFFAOYSA-N
XLogP2.98
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.96
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide
CID 120895933
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-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 120895354
N-(2-aminoethyl)-5-cyano-2-methyl-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895705
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)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-3-chloro-2-fluoro-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895673
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride (CID 120895932) is N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride is Cc1cc(S(=O)(=O)N(CCN)CCc2ccccc2)c(C)s1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride?
The InChIKey is YZVGCLXZBQTKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2.ClH/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;1H.
What are the key properties of N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride?
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)thiophene-3-sulfonamide;hydrochloride has a molecular weight of 374.96 g/mol, XLogP of 2.98, 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;hydrochloride is sourced from PubChem (CID 120895932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).