2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide

C18H18ClNO2S — CID 24547806

IUPAC2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C18H18ClNO2S/c1-22-16-7-6-13(19)10-12(16)11-18(21)20-15-8-9-23-17-5-3-2-4-14(15)17/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeyZOPKKPPOPJPBAQ-UHFFFAOYSA-N
MW347.87 g/mol
LogP4.24
Rot. Bonds4

About 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide

2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide (PubChem CID 24547806) has the molecular formula C18H18ClNO2S and a molecular weight of 347.87 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
PubChem CID24547806
Molecular FormulaC18H18ClNO2S
Molecular Weight347.87 g/mol
Exact Mass347.07
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide
SMILESCOc1ccc(Cl)cc1CC(=O)NC1CCSc2ccccc21
InChIInChI=1S/C18H18ClNO2S/c1-22-16-7-6-13(19)10-12(16)11-18(21)20-15-8-9-23-17-5-3-2-4-14(15)17/h2-7,10,15H,8-9,11H2,1H3,(H,20,21)
InChIKeyZOPKKPPOPJPBAQ-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7678552
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 46656521
1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 42952555
1-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-3-[(3-hydroxy-4-methoxyphenyl)methyl]urea
CID 94180732
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxybenzamide
CID 17484910
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-fluorophenyl)acetamide
CID 8933642
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 40985124
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(2-ethoxyphenyl)propanamide
CID 46671847
N-[2-(2-methoxyphenyl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103775877
2-(5-chloro-2-methoxyphenyl)-N-cyclopentyloxyacetamide
CID 83202101
N-(3,4-dihydro-2H-thiochromen-4-yl)-3,4-dimethoxy-5-prop-2-enylbenzamide
CID 18276892

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide (CID 24547806) is 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide is COc1ccc(Cl)cc1CC(=O)NC1CCSc2ccccc21.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
The InChIKey is ZOPKKPPOPJPBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2S/c1-22-16-7-6-13(19)10-12(16)11-18(21)20-15-8-9-23-17-5-3-2-4-14(15)17/h2-7,10,15H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide?
2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide has a molecular weight of 347.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-(3,4-dihydro-2H-thiochromen-4-yl)acetamide is sourced from PubChem (CID 24547806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).