N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

C21H23N3O4S2 — CID 3543750

IUPACN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12
InChIInChI=1S/C21H23N3O4S2/c1-2-28-17-7-6-8-18-19(17)22-21(29-18)23-20(25)15-9-11-16(12-10-15)30(26,27)24-13-4-3-5-14-24/h6-12H,2-5,13-14H2,1H3,(H,22,23,25)
InChIKeyHSVRWEMBJBUXEC-UHFFFAOYSA-N
MW445.57 g/mol
LogP4.12
Rot. Bonds6

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 3543750) has the molecular formula C21H23N3O4S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
PubChem CID3543750
Molecular FormulaC21H23N3O4S2
Molecular Weight445.57 g/mol
Exact Mass445.11
IUPAC NameN-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide
SMILESCCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12
InChIInChI=1S/C21H23N3O4S2/c1-2-28-17-7-6-8-18-19(17)22-21(29-18)23-20(25)15-9-11-16(12-10-15)30(26,27)24-13-4-3-5-14-24/h6-12H,2-5,13-14H2,1H3,(H,22,23,25)
InChIKeyHSVRWEMBJBUXEC-UHFFFAOYSA-N
XLogP4.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
3-ethoxy-N-{4-[4-(4-morpholinylsulfonyl)phenyl]-1,3-thiazol-2-yl}benzamide
CID 1303721
N-[7-(acetyl-ethyl-amino)-4-methoxy-benzothiazol-2-yl]-4-fluoro-benzamide
CID 9930130
4-fluoro-N-(4-methoxy-7-(N-(2-methoxyethyl)acetamido)benzo[d]thiazol-2-yl)benzamide
CID 10126989
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(piperidine-1-carbonyl)benzamide
CID 117941178
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405944
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylbenzamide
CID 146405955
3-methoxy-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 993388
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methoxybenzamide
CID 1298220
4-[(2-methoxyphenyl)-methylsulfamoyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2116584
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
CID 2159327

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide (CID 3543750) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is CCOc1cccc2sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc12.
What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is HSVRWEMBJBUXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S2/c1-2-28-17-7-6-8-18-19(17)22-21(29-18)23-20(25)15-9-11-16(12-10-15)30(26,27)24-13-4-3-5-14-24/h6-12H,2-5,13-14H2,1H3,(H,22,23,25).
What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide?
N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 445.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3543750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).