N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide

C12H16ClNO4S — CID 79682314

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCC(O)CO
InChIInChI=1S/C12H16ClNO4S/c1-18-11-3-2-8(13)4-10(11)14-12(17)7-19-6-9(16)5-15/h2-4,9,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyYJUIEYZQLQMNJT-UHFFFAOYSA-N
MW305.78 g/mol
LogP1.37
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide (PubChem CID 79682314) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
PubChem CID79682314
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CSCC(O)CO
InChIInChI=1S/C12H16ClNO4S/c1-18-11-3-2-8(13)4-10(11)14-12(17)7-19-6-9(16)5-15/h2-4,9,15-16H,5-7H2,1H3,(H,14,17)
InChIKeyYJUIEYZQLQMNJT-UHFFFAOYSA-N
XLogP1.37
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64914076
2-(2-aminobutylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66229626
N-(5-chloro-2-methoxyphenyl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705878
2-(3-aminopropylsulfanyl)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 66217565
N-(5-chloro-2-methoxyphenyl)-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
CID 112762838
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-[(1S)-1-phenylethyl]sulfanylacetamide
CID 7509869
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanylbutanoic acid
CID 105352698
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(5-chloro-2-methoxyphenyl)-2-(3-phenylprop-2-enylsulfanyl)acetamide
CID 4852447
N-(5-chloro-2-methoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31091838
N-(5-chloro-2-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 6219239

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide (CID 79682314) is N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide is COc1ccc(Cl)cc1NC(=O)CSCC(O)CO.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide?
The InChIKey is YJUIEYZQLQMNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-18-11-3-2-8(13)4-10(11)14-12(17)7-19-6-9(16)5-15/h2-4,9,15-16H,5-7H2,1H3,(H,14,17).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide has a molecular weight of 305.78 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydroxypropylsulfanyl)acetamide is sourced from PubChem (CID 79682314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).