4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

C24H30N4O3S2 — CID 41364676

IUPAC4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12
InChIInChI=1S/C24H30N4O3S2/c1-16-6-7-17(2)22-21(16)25-24(32-22)28(15-14-26(3)4)23(29)18-8-12-20(13-9-18)33(30,31)27(5)19-10-11-19/h6-9,12-13,19H,10-11,14-15H2,1-5H3
InChIKeyYDHPBPWCRNRYNN-UHFFFAOYSA-N
MW486.66 g/mol
LogP3.90
Rot. Bonds8

About 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide

4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 41364676) has the molecular formula C24H30N4O3S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID41364676
Molecular FormulaC24H30N4O3S2
Molecular Weight486.66 g/mol
Exact Mass486.18
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide
SMILESCc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12
InChIInChI=1S/C24H30N4O3S2/c1-16-6-7-17(2)22-21(16)25-24(32-22)28(15-14-26(3)4)23(29)18-8-12-20(13-9-18)33(30,31)27(5)19-10-11-19/h6-9,12-13,19H,10-11,14-15H2,1-5H3
InChIKeyYDHPBPWCRNRYNN-UHFFFAOYSA-N
XLogP3.90
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide;hydrochloride
CID 44928449
N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41046521
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43963799
N-benzyl-4-[cyclopropyl(methyl)sulfamoyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41364399
4-[cyclohexyl(methyl)sulfamoyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 43964407
4-(dibutylsulfamoyl)-N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43964316
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-[methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzamide
CID 42428145
N-[2-(diethylamino)ethyl]-4-(dimethylsulfamoyl)-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41346477
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 43958999
N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 44932136
4-[butyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 43964315
N-[3-(dimethylamino)propyl]-4-(dimethylsulfamoyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16808722

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide (CID 41364676) is 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is Cc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is YDHPBPWCRNRYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S2/c1-16-6-7-17(2)22-21(16)25-24(32-22)28(15-14-26(3)4)23(29)18-8-12-20(13-9-18)33(30,31)27(5)19-10-11-19/h6-9,12-13,19H,10-11,14-15H2,1-5H3.
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide?
4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 486.66 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-[2-(dimethylamino)ethyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 41364676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).