N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride

C25H34Cl2N4O3S2 — CID 44929891

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1.Cl
InChIInChI=1S/C25H33ClN4O3S2.ClH/c1-5-14-29(15-6-2)35(32,33)21-11-8-19(9-12-21)24(31)30(17-7-16-28(3)4)25-27-22-13-10-20(26)18-23(22)34-25;/h8-13,18H,5-7,14-17H2,1-4H3;1H
InChIKeyFFCNRCZSLBKTCA-UHFFFAOYSA-N
MW573.61 g/mol
LogP5.78
Rot. Bonds12

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride (PubChem CID 44929891) has the molecular formula C25H34Cl2N4O3S2 and a molecular weight of 573.61 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride
PubChem CID44929891
Molecular FormulaC25H34Cl2N4O3S2
Molecular Weight573.61 g/mol
Exact Mass572.14
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1.Cl
InChIInChI=1S/C25H33ClN4O3S2.ClH/c1-5-14-29(15-6-2)35(32,33)21-11-8-19(9-12-21)24(31)30(17-7-16-28(3)4)25-27-22-13-10-20(26)18-23(22)34-25;/h8-13,18H,5-7,14-17H2,1-4H3;1H
InChIKeyFFCNRCZSLBKTCA-UHFFFAOYSA-N
XLogP5.78
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.61
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;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

4-[bis(2-methylpropyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 44923262
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44925420
4-[bis(prop-2-enyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide
CID 43958602
4-(dibutylsulfamoyl)-N-[2-(dimethylamino)ethyl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947678
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 44929889
4-[butyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44929857
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-ethylsulfanylbenzamide;hydrochloride
CID 44931931
4-[butyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963434
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
CID 7512181
N-(6-chloro-1,3-benzothiazol-2-yl)-4-cyano-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
CID 16799056
4-(dibutylsulfamoyl)-N-[2-(dimethylamino)ethyl]-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44947254
4-[bis(2-methoxyethyl)sulfamoyl]-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959470

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride (CID 44929891) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1.Cl.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride?
The InChIKey is FFCNRCZSLBKTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O3S2.ClH/c1-5-14-29(15-6-2)35(32,33)21-11-8-19(9-12-21)24(31)30(17-7-16-28(3)4)25-27-22-13-10-20(26)18-23(22)34-25;/h8-13,18H,5-7,14-17H2,1-4H3;1H.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride has a molecular weight of 573.61 g/mol, XLogP of 5.78, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-(dipropylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 44929891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).