N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide

C20H21F2N3O3S — CID 55853485

IUPACN-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2nc3ccccc3s2)cc1OC(F)F
InChIInChI=1S/C20H21F2N3O3S/c1-12(18(26)24-20-23-14-6-4-5-7-17(14)29-20)25(2)11-13-8-9-15(27-3)16(10-13)28-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,24,26)
InChIKeyFTFDJJRHMFMKPZ-UHFFFAOYSA-N
MW421.47 g/mol
LogP4.37
Rot. Bonds8

About N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide

N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide (PubChem CID 55853485) has the molecular formula C20H21F2N3O3S and a molecular weight of 421.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
PubChem CID55853485
Molecular FormulaC20H21F2N3O3S
Molecular Weight421.47 g/mol
Exact Mass421.13
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)Nc2nc3ccccc3s2)cc1OC(F)F
InChIInChI=1S/C20H21F2N3O3S/c1-12(18(26)24-20-23-14-6-4-5-7-17(14)29-20)25(2)11-13-8-9-15(27-3)16(10-13)28-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,24,26)
InChIKeyFTFDJJRHMFMKPZ-UHFFFAOYSA-N
XLogP4.37
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide with MolForge

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanamide
CID 42962067
N-(4-bromophenyl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide
CID 55628132
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-[(2-fluorophenyl)methyl]propanamide
CID 86931168
N-(1,3-benzothiazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 2676970
2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 17494260
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2,4-dimethylphenyl)propanamide
CID 46632198
(2R)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8802297
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
N-(1,3-benzothiazol-2-yl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 4598835
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)propanamide
CID 46632237
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide (CID 55853485) is N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide is COc1ccc(CN(C)C(C)C(=O)Nc2nc3ccccc3s2)cc1OC(F)F.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
The InChIKey is FTFDJJRHMFMKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3S/c1-12(18(26)24-20-23-14-6-4-5-7-17(14)29-20)25(2)11-13-8-9-15(27-3)16(10-13)28-19(21)22/h4-10,12,19H,11H2,1-3H3,(H,23,24,26).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide?
N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide has a molecular weight of 421.47 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]propanamide is sourced from PubChem (CID 55853485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).