N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

C22H27N3O3S — CID 7511805

IUPACN-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)ccc2s1
InChIInChI=1S/C22H27N3O3S/c1-5-24(6-2)13-14-25(21(26)17-9-7-8-10-19(17)28-4)22-23-18-15-16(27-3)11-12-20(18)29-22/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyRSPOEUFHGRWQEA-UHFFFAOYSA-N
MW413.54 g/mol
LogP4.30
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide

N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7511805) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID7511805
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)ccc2s1
InChIInChI=1S/C22H27N3O3S/c1-5-24(6-2)13-14-25(21(26)17-9-7-8-10-19(17)28-4)22-23-18-15-16(27-3)11-12-20(18)29-22/h7-12,15H,5-6,13-14H2,1-4H3
InChIKeyRSPOEUFHGRWQEA-UHFFFAOYSA-N
XLogP4.30
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511771
N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 43960021
N-[2-(diethylamino)ethyl]-2-methoxy-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 16896530
N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide;hydrochloride
CID 44926607
N-[2-(dimethylamino)ethyl]-2-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7507384
N-[2-(diethylamino)ethyl]-2-iodo-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344958
N-[2-(diethylamino)ethyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 7511937
N-[3-(dimethylamino)propyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 7512619
N-[3-(dimethylamino)propyl]-3-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 41348203
4-tert-butyl-N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926688
N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7511811
N-[2-(dimethylamino)ethyl]-2-iodo-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344324

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide (CID 7511805) is N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is CCN(CC)CCN(C(=O)c1ccccc1OC)c1nc2cc(OC)ccc2s1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is RSPOEUFHGRWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-5-24(6-2)13-14-25(21(26)17-9-7-8-10-19(17)28-4)22-23-18-15-16(27-3)11-12-20(18)29-22/h7-12,15H,5-6,13-14H2,1-4H3.
What are the key properties of N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide?
N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 413.54 g/mol, XLogP of 4.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methoxy-N-(5-methoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7511805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).