N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H17N3O3S2 — CID 40749914

IUPACN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CSc2nncs2)c1
InChIInChI=1S/C14H17N3O3S2/c1-9(11-6-10(19-2)4-5-12(11)20-3)16-13(18)7-21-14-17-15-8-22-14/h4-6,8-9H,7H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyAHRCWFZNMMFUCR-SECBINFHSA-N
MW339.44 g/mol
LogP2.52
Rot. Bonds7

About N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 40749914) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID40749914
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC NameN-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCOc1ccc(OC)c([C@@H](C)NC(=O)CSc2nncs2)c1
InChIInChI=1S/C14H17N3O3S2/c1-9(11-6-10(19-2)4-5-12(11)20-3)16-13(18)7-21-14-17-15-8-22-14/h4-6,8-9H,7H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyAHRCWFZNMMFUCR-SECBINFHSA-N
XLogP2.52
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 9478267
N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
CID 41312659
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 8806676
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 46828934
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methylphenyl)sulfanylacetamide
CID 51207601
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 51214703
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 17459407
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 46606087
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
CID 46435817
2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 46626783
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-phenylsulfanylpyrazin-2-yl)sulfanylacetamide
CID 92897232
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 9405111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 40749914) is N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is COc1ccc(OC)c([C@@H](C)NC(=O)CSc2nncs2)c1.
What is the InChIKey of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is AHRCWFZNMMFUCR-SECBINFHSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-9(11-6-10(19-2)4-5-12(11)20-3)16-13(18)7-21-14-17-15-8-22-14/h4-6,8-9H,7H2,1-3H3,(H,16,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 339.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 40749914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).