N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide

C22H30N2O2S — CID 2727896

IUPACN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C22H30N2O2S/c1-3-4-5-6-7-8-9-10-20(25)23-22-24-21-18-13-12-17(26-2)15-16(18)11-14-19(21)27-22/h12-13,15H,3-11,14H2,1-2H3,(H,23,24,25)
InChIKeyGFEWYNPHEBNPLX-UHFFFAOYSA-N
MW386.56 g/mol
LogP6.00
Rot. Bonds10

About N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide

N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide (PubChem CID 2727896) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide.

Molecular Properties

Compound NameN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
PubChem CID2727896
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide
SMILESCCCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2
InChIInChI=1S/C22H30N2O2S/c1-3-4-5-6-7-8-9-10-20(25)23-22-24-21-18-13-12-17(26-2)15-16(18)11-14-19(21)27-22/h12-13,15H,3-11,14H2,1-2H3,(H,23,24,25)
InChIKeyGFEWYNPHEBNPLX-UHFFFAOYSA-N
XLogP6.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.56
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propanamide
CID 50939132
4-chloro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 4103019
2-fluoro-N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)benzamide
CID 1209992
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)pentanamide
CID 5197316
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-nitrobenzamide
CID 126058605
N-hydroxy-N'-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methanimidamide
CID 6409661
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
N-(8-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-methylbenzamide
CID 4107573
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-1-amine
CID 61336437
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983

Frequently Asked Questions

What is the IUPAC name of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide?
The IUPAC name of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide (CID 2727896) is N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide.
What is the SMILES notation for N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide?
The canonical SMILES for N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide is CCCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2.
What is the InChIKey of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide?
The InChIKey is GFEWYNPHEBNPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-3-4-5-6-7-8-9-10-20(25)23-22-24-21-18-13-12-17(26-2)15-16(18)11-14-19(21)27-22/h12-13,15H,3-11,14H2,1-2H3,(H,23,24,25).
What are the key properties of N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide?
N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide has a molecular weight of 386.56 g/mol, XLogP of 6.00, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)decanamide is sourced from PubChem (CID 2727896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).