N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

C23H27N3O4S2 — CID 55546272

IUPACN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1nc2ccccc2s1
InChIInChI=1S/C23H27N3O4S2/c1-17-10-11-18(32(28,29)25-12-6-3-7-13-25)16-19(17)22(27)26(14-15-30-2)23-24-20-8-4-5-9-21(20)31-23/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3
InChIKeyFYXWCCYFCBOTFJ-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.07
Rot. Bonds7

About N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide

N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55546272) has the molecular formula C23H27N3O4S2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55546272
Molecular FormulaC23H27N3O4S2
Molecular Weight473.62 g/mol
Exact Mass473.14
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
SMILESCOCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1nc2ccccc2s1
InChIInChI=1S/C23H27N3O4S2/c1-17-10-11-18(32(28,29)25-12-6-3-7-13-25)16-19(17)22(27)26(14-15-30-2)23-24-20-8-4-5-9-21(20)31-23/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3
InChIKeyFYXWCCYFCBOTFJ-UHFFFAOYSA-N
XLogP4.07
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]benzamide;hydrochloride
CID 18576586
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-piperidin-1-ylsulfonylbenzamide
CID 41027051
4-(azepan-1-ylsulfonyl)-N-(1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
CID 44922743
N-(1,3-benzothiazol-2-yl)-2-chloro-5-(diethylsulfamoyl)-N-(2-methoxyethyl)benzamide
CID 55545478
N-(1,3-benzothiazol-2-yl)-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 34189725
N-benzyl-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 99144006
(E)-N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 55545420
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-4-(trifluoromethylsulfonyl)benzamide
CID 55567700
N-[2-(diethylamino)ethyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41344847
N-[2-(dimethylamino)ethyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
CID 41343579
[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 40797596
N-(1,3-benzothiazol-2-yl)-2-bromo-4-fluoro-N-(2-methoxyethyl)benzamide
CID 34264564

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide (CID 55546272) is N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is COCCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is FYXWCCYFCBOTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S2/c1-17-10-11-18(32(28,29)25-12-6-3-7-13-25)16-19(17)22(27)26(14-15-30-2)23-24-20-8-4-5-9-21(20)31-23/h4-5,8-11,16H,3,6-7,12-15H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide?
N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 473.62 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(2-methoxyethyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55546272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).