2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide

C12H17NO3S — CID 114232132

IUPAC2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(OC)c1[C@@H](C)O
InChIInChI=1S/C12H17NO3S/c1-8(14)12-9(16-3)5-4-6-10(12)17-7-11(15)13-2/h4-6,8,14H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyGKMWHDQJGREMLQ-MRVPVSSYSA-N
MW255.34 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide

2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide (PubChem CID 114232132) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
PubChem CID114232132
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide
SMILESCNC(=O)CSc1cccc(OC)c1[C@@H](C)O
InChIInChI=1S/C12H17NO3S/c1-8(14)12-9(16-3)5-4-6-10(12)17-7-11(15)13-2/h4-6,8,14H,7H2,1-3H3,(H,13,15)/t8-/m1/s1
InChIKeyGKMWHDQJGREMLQ-MRVPVSSYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]sulfanylacetamide
CID 114231324
methyl 2-[1-[[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778450
2-(2-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 52772198
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
methyl 2-hydroxy-2-(2-methoxy-6-methylsulfanylphenyl)acetate
CID 117357886
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
2-(2-amino-5-methoxyphenyl)sulfanyl-N-methylacetamide
CID 79519027
N-ethyl-1-(2-methoxy-6-propylsulfanylphenyl)ethanamine
CID 113389112
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 46586301
2-(2-fluorophenyl)sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7697455
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86092021

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide?
The IUPAC name of 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide (CID 114232132) is 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide.
What is the SMILES notation for 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide?
The canonical SMILES for 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide is CNC(=O)CSc1cccc(OC)c1[C@@H](C)O.
What is the InChIKey of 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide?
The InChIKey is GKMWHDQJGREMLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-8(14)12-9(16-3)5-4-6-10(12)17-7-11(15)13-2/h4-6,8,14H,7H2,1-3H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide?
2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide has a molecular weight of 255.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]sulfanyl-N-methylacetamide is sourced from PubChem (CID 114232132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).