N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

C24H30ClN3O4S2 — CID 18583071

IUPACN-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(S(=O)(=O)CC)c3)nc12.Cl
InChIInChI=1S/C24H29N3O4S2.ClH/c1-3-18-7-6-10-21-22(18)25-24(32-21)27(12-11-26-13-15-31-16-14-26)23(28)19-8-5-9-20(17-19)33(29,30)4-2;/h5-10,17H,3-4,11-16H2,1-2H3;1H
InChIKeySLGZOSSFZKSJIE-UHFFFAOYSA-N
MW524.11 g/mol
LogP4.05
Rot. Bonds8

About N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride

N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (PubChem CID 18583071) has the molecular formula C24H30ClN3O4S2 and a molecular weight of 524.11 g/mol. Its IUPAC name is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
PubChem CID18583071
Molecular FormulaC24H30ClN3O4S2
Molecular Weight524.11 g/mol
Exact Mass523.14
IUPAC NameN-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
SMILESCCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(S(=O)(=O)CC)c3)nc12.Cl
InChIInChI=1S/C24H29N3O4S2.ClH/c1-3-18-7-6-10-21-22(18)25-24(32-21)27(12-11-26-13-15-31-16-14-26)23(28)19-8-5-9-20(17-19)33(29,30)4-2;/h5-10,17H,3-4,11-16H2,1-2H3;1H
InChIKeySLGZOSSFZKSJIE-UHFFFAOYSA-N
XLogP4.05
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583107
3-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 44946721
3-ethylsulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)benzamide
CID 29277985
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583478
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)naphthalene-2-carboxamide
CID 25319285
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138820
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-3-nitrobenzamide
CID 29137496
N-(4-chloro-1,3-benzothiazol-2-yl)-4-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride
CID 18583109
2,5-dichloro-N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 44932886
N-(6-chloro-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 29071436
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 18583062
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 29138333

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The IUPAC name of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride (CID 18583071) is N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is CCc1cccc2sc(N(CCN3CCOCC3)C(=O)c3cccc(S(=O)(=O)CC)c3)nc12.Cl.
What is the InChIKey of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
The InChIKey is SLGZOSSFZKSJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S2.ClH/c1-3-18-7-6-10-21-22(18)25-24(32-21)27(12-11-26-13-15-31-16-14-26)23(28)19-8-5-9-20(17-19)33(29,30)4-2;/h5-10,17H,3-4,11-16H2,1-2H3;1H.
What are the key properties of N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride?
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride has a molecular weight of 524.11 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-1,3-benzothiazol-2-yl)-3-ethylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 18583071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).