N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide

C21H24N2O4S — CID 34189686

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1
InChIInChI=1S/C21H24N2O4S/c1-5-23(21-22-15-8-6-7-9-18(15)28-21)19(24)11-10-14-12-16(25-2)20(27-4)17(13-14)26-3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMPVMNKUXQJDWKZ-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.31
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 34189686) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID34189686
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1
InChIInChI=1S/C21H24N2O4S/c1-5-23(21-22-15-8-6-7-9-18(15)28-21)19(24)11-10-14-12-16(25-2)20(27-4)17(13-14)26-3/h6-9,12-13H,5,10-11H2,1-4H3
InChIKeyMPVMNKUXQJDWKZ-UHFFFAOYSA-N
XLogP4.31
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8820324
N-[2-(diethylamino)ethyl]-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 43960027
N-(1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-phenylpropanamide
CID 7577533
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 74906921
N-[2-(diethylamino)ethyl]-N-(5-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 7511811
N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
CID 16559996
N-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]butanamide
CID 7577310
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 28569671
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-fluorophenyl)acetamide
CID 30797489
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(9-oxoacridin-10-yl)acetamide
CID 16605874
N-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2461168
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573180

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 34189686) is N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide is CCN(C(=O)CCc1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is MPVMNKUXQJDWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-5-23(21-22-15-8-6-7-9-18(15)28-21)19(24)11-10-14-12-16(25-2)20(27-4)17(13-14)26-3/h6-9,12-13H,5,10-11H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 400.50 g/mol, XLogP of 4.31, 8 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-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 34189686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).