N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide

C18H17ClN2O2S — CID 18932476

IUPACN-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
SMILESCCc1cc(OCc2nc3cc(Cl)ccc3s2)ccc1NC(C)=O
InChIInChI=1S/C18H17ClN2O2S/c1-3-12-8-14(5-6-15(12)20-11(2)22)23-10-18-21-16-9-13(19)4-7-17(16)24-18/h4-9H,3,10H2,1-2H3,(H,20,22)
InChIKeyMUHIICRJJNHJRN-UHFFFAOYSA-N
MW360.87 g/mol
LogP5.05
Rot. Bonds5

About N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide

N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide (PubChem CID 18932476) has the molecular formula C18H17ClN2O2S and a molecular weight of 360.87 g/mol. Its IUPAC name is N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
PubChem CID18932476
Molecular FormulaC18H17ClN2O2S
Molecular Weight360.87 g/mol
Exact Mass360.07
IUPAC NameN-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide
SMILESCCc1cc(OCc2nc3cc(Cl)ccc3s2)ccc1NC(C)=O
InChIInChI=1S/C18H17ClN2O2S/c1-3-12-8-14(5-6-15(12)20-11(2)22)23-10-18-21-16-9-13(19)4-7-17(16)24-18/h4-9H,3,10H2,1-2H3,(H,20,22)
InChIKeyMUHIICRJJNHJRN-UHFFFAOYSA-N
XLogP5.05
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.87
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-ethylphenyl]acetamide
CID 18932135
N-[2-methyl-4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]acetamide
CID 18932173
N-[4-[(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)methoxy]-2-methylphenyl]acetamide
CID 18932064
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
propan-2-yl 2-acetamido-5-(1,3-benzothiazol-2-ylmethoxy)benzoate
CID 18932317
1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea
CID 980457
N-[3-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7698043
N-[2-(1,3-benzothiazol-2-ylmethoxy)phenyl]acetamide
CID 7506157
methyl N-[3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2,6-difluorobenzoyl]carbamate
CID 90153603
N-[4-[(5-fluoro-1,3-benzothiazol-2-yl)methoxy]phenyl]butanamide
CID 18932318
3-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-6-fluoro-2-methylbenzamide;ethane
CID 143542920
methyl N-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-N-(4-chlorobenzoyl)carbamate
CID 18932295

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide?
The IUPAC name of N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide (CID 18932476) is N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide.
What is the SMILES notation for N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide?
The canonical SMILES for N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide is CCc1cc(OCc2nc3cc(Cl)ccc3s2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide?
The InChIKey is MUHIICRJJNHJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S/c1-3-12-8-14(5-6-15(12)20-11(2)22)23-10-18-21-16-9-13(19)4-7-17(16)24-18/h4-9H,3,10H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide?
N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide has a molecular weight of 360.87 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-1,3-benzothiazol-2-yl)methoxy]-2-ethylphenyl]acetamide is sourced from PubChem (CID 18932476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).