N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide

C20H21ClN2O3S — CID 16559996

IUPACN-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)c1nc2ccccc2s1
InChIInChI=1S/C20H21ClN2O3S/c1-5-23(20-22-15-8-6-7-9-17(15)27-20)19(24)13-10-14(21)18(26-12(2)3)16(11-13)25-4/h6-12H,5H2,1-4H3
InChIKeyCQNQZRGMMWPRGE-UHFFFAOYSA-N
MW404.92 g/mol
LogP5.41
Rot. Bonds6

About N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide

N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide (PubChem CID 16559996) has the molecular formula C20H21ClN2O3S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
PubChem CID16559996
Molecular FormulaC20H21ClN2O3S
Molecular Weight404.92 g/mol
Exact Mass404.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)c1nc2ccccc2s1
InChIInChI=1S/C20H21ClN2O3S/c1-5-23(20-22-15-8-6-7-9-17(15)27-20)19(24)13-10-14(21)18(26-12(2)3)16(11-13)25-4/h6-12H,5H2,1-4H3
InChIKeyCQNQZRGMMWPRGE-UHFFFAOYSA-N
XLogP5.41
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.92
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 16559857
N-(1,3-benzothiazol-2-yl)-3,4-dichloro-N-(2-methylpropyl)benzamide
CID 7948646
N-(5-chloro-1,3-benzothiazol-2-yl)-N-ethyl-3,4-dimethoxybenzamide
CID 18081188
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 34189686
N-(1,3-benzothiazol-2-yl)-N-ethyl-3-iodobenzamide
CID 34189654
N-(1,3-benzothiazol-2-yl)-N-ethyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18193246
N-(1,3-benzothiazol-2-yl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 34189759
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3,5-dichloro-4-methoxy-N-methylbenzamide
CID 9469563
N-(1,3-benzothiazol-2-yl)-3,4,5,6-tetrachloro-N-ethylpyridine-2-carboxamide
CID 16559914
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 26115691
1,3-benzothiazol-2-ylmethyl 3-chloro-4,5-dimethoxybenzoate
CID 7681010
1,3-benzothiazol-2-ylmethyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7654293

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide (CID 16559996) is N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide is CCN(C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is CQNQZRGMMWPRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3S/c1-5-23(20-22-15-8-6-7-9-17(15)27-20)19(24)13-10-14(21)18(26-12(2)3)16(11-13)25-4/h6-12H,5H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide?
N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 404.92 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-chloro-N-ethyl-5-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16559996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).