N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride

C24H32ClN3O3S3 — CID 44946566

IUPACN-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)c1nc2c(SC)cccc2s1.Cl
InChIInChI=1S/C24H31N3O3S3.ClH/c1-5-26(6-2)15-16-27(24-25-23-20(31-4)8-7-9-21(23)32-24)22(28)14-17-33(29,30)19-12-10-18(3)11-13-19;/h7-13H,5-6,14-17H2,1-4H3;1H
InChIKeySSUAADDTZKEVJV-UHFFFAOYSA-N
MW542.19 g/mol
LogP5.29
Rot. Bonds11

About N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride

N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride (PubChem CID 44946566) has the molecular formula C24H32ClN3O3S3 and a molecular weight of 542.19 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride
PubChem CID44946566
Molecular FormulaC24H32ClN3O3S3
Molecular Weight542.19 g/mol
Exact Mass541.13
IUPAC NameN-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride
SMILESCCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)c1nc2c(SC)cccc2s1.Cl
InChIInChI=1S/C24H31N3O3S3.ClH/c1-5-26(6-2)15-16-27(24-25-23-20(31-4)8-7-9-21(23)32-24)22(28)14-17-33(29,30)19-12-10-18(3)11-13-19;/h7-13H,5-6,14-17H2,1-4H3;1H
InChIKeySSUAADDTZKEVJV-UHFFFAOYSA-N
XLogP5.29
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.19
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride 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-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide;hydrochloride
CID 16823032
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide;hydrochloride
CID 44928351
N-[2-(diethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41323493
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide;hydrochloride
CID 44928231
N-[2-(diethylamino)ethyl]-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide;hydrochloride
CID 44928487
3-(benzenesulfonyl)-N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride
CID 18563957
N-[2-(diethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfonylpropanamide;hydrochloride
CID 44928453
N-[2-(diethylamino)ethyl]-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetamide;hydrochloride
CID 44928175
N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44946492
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 44929268
3-(benzenesulfonyl)-N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]propanamide;hydrochloride
CID 44929258
3-(4-chlorophenyl)sulfonyl-N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide
CID 41044870

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride (CID 44946566) is N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride is CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccc(C)cc1)c1nc2c(SC)cccc2s1.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride?
The InChIKey is SSUAADDTZKEVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S3.ClH/c1-5-26(6-2)15-16-27(24-25-23-20(31-4)8-7-9-21(23)32-24)22(28)14-17-33(29,30)19-12-10-18(3)11-13-19;/h7-13H,5-6,14-17H2,1-4H3;1H.
What are the key properties of N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride?
N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride has a molecular weight of 542.19 g/mol, XLogP of 5.29, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(4-methylphenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 44946566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).