2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

C18H17ClN2O4S2 — CID 167905816

IUPAC2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C18H17ClN2O4S2/c1-3-25-17-11(5-4-6-13(17)19)9-16(22)21-18-20-14-8-7-12(27(2,23)24)10-15(14)26-18/h4-8,10H,3,9H2,1-2H3,(H,20,21,22)
InChIKeyBUYBMPOEVYEEGV-UHFFFAOYSA-N
MW424.93 g/mol
LogP3.93
Rot. Bonds6

About 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 167905816) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID167905816
Molecular FormulaC18H17ClN2O4S2
Molecular Weight424.93 g/mol
Exact Mass424.03
IUPAC Name2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
SMILESCCOc1c(Cl)cccc1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
InChIInChI=1S/C18H17ClN2O4S2/c1-3-25-17-11(5-4-6-13(17)19)9-16(22)21-18-20-14-8-7-12(27(2,23)24)10-15(14)26-18/h4-8,10H,3,9H2,1-2H3,(H,20,21,22)
InChIKeyBUYBMPOEVYEEGV-UHFFFAOYSA-N
XLogP3.93
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 19174332
3-ethoxy-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 2971147
2-(3-methoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666779
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 16590498
2-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylsulfonylbenzamide
CID 8883217
2-(4-bromophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2059533
2-(2,5-difluorophenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 167986896
2-(3,4-dimethylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 2666726
2-(3-chlorophenoxy)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide
CID 2932306
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)decanamide
CID 4674921
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1075302
2-(4-chlorophenyl)sulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 7254630

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide (CID 167905816) is 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is CCOc1c(Cl)cccc1CC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1.
What is the InChIKey of 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is BUYBMPOEVYEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-3-25-17-11(5-4-6-13(17)19)9-16(22)21-18-20-14-8-7-12(27(2,23)24)10-15(14)26-18/h4-8,10H,3,9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide?
2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 424.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethoxyphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 167905816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).