N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C21H23N3O6S2 — CID 3415775

IUPACN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1
InChIInChI=1S/C21H23N3O6S2/c1-3-30-15-5-6-16-18(13-15)31-21(22-16)23-20(25)14-4-7-17(28-2)19(12-14)32(26,27)24-8-10-29-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25)
InChIKeyKXHKBHYRCVZTJK-UHFFFAOYSA-N
MW477.56 g/mol
LogP2.98
Rot. Bonds7

About N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3415775) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3415775
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC NameN-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1
InChIInChI=1S/C21H23N3O6S2/c1-3-30-15-5-6-16-18(13-15)31-21(22-16)23-20(25)14-4-7-17(28-2)19(12-14)32(26,27)24-8-10-29-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25)
InChIKeyKXHKBHYRCVZTJK-UHFFFAOYSA-N
XLogP2.98
TPSA107.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
4-methoxy-N-[4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]benzamide
CID 980159
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548582
N-(1,3-benzothiazol-2-yl)-N'-(4-propoxybenzoyl)thiourea
CID 1719089
N-(4-{[(6-methoxy-1,3-benzothiazol-2-yl)amino]carbonyl}phenyl)tetrahydrofuran-2-carboxamide
CID 16002341
3,4,5-trimethoxy-N-(6-(morpholinosulfonyl)benzo[d]thiazol-2-yl)benzamide
CID 2017240
N-(4-ethoxybenzo[d]thiazol-2-yl)-4-(piperidin-1-ylsulfonyl)benzamide
CID 3543750
N-(2-aminophenyl)-4-((6-(2-morpholinoethoxy)benzo[d]thiazol-2-ylamino)methyl)benzamide
CID 10436141
N-(6-methoxybenzo[d]thiazol-2-yl)-4-(4-(prop-2-yn-1-yloxy)benzoyl)benzamide
CID 110876891
4-benzoyl-N-(6-propoxybenzo[d]thiazol-2-yl)benzamide
CID 117940920

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 3415775) is N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is CCOc1ccc2nc(NC(=O)c3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1.
What is the InChIKey of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is KXHKBHYRCVZTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-3-30-15-5-6-16-18(13-15)31-21(22-16)23-20(25)14-4-7-17(28-2)19(12-14)32(26,27)24-8-10-29-11-9-24/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23,25).
What are the key properties of N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 477.56 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3415775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).