(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide

C12H13N3OS — CID 94017809

IUPAC(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCn1ccnc1S[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-15-8-7-14-12(15)17-10(11(13)16)9-5-3-2-4-6-9/h2-8,10H,1H3,(H2,13,16)/t10-/m1/s1
InChIKeyXOABFASBUSENPT-SNVBAGLBSA-N
MW247.32 g/mol
LogP1.74
Rot. Bonds4

About (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide

(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 94017809) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID94017809
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESCn1ccnc1S[C@@H](C(N)=O)c1ccccc1
InChIInChI=1S/C12H13N3OS/c1-15-8-7-14-12(15)17-10(11(13)16)9-5-3-2-4-6-9/h2-8,10H,1H3,(H2,13,16)/t10-/m1/s1
InChIKeyXOABFASBUSENPT-SNVBAGLBSA-N
XLogP1.74
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 41434046
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 37323378
(2S)-N-(3-acetylphenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 40608479
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
CID 40529204
(2S)-N-(2-chloro-4-nitrophenyl)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 40529153
(2R)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 41438042
methyl 2-(1-ethylimidazol-2-yl)sulfanyl-2-phenylacetate
CID 60564247
2-(1-ethyl-5-phenylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 18139283
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 40529460

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 94017809) is (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide is Cn1ccnc1S[C@@H](C(N)=O)c1ccccc1.
What is the InChIKey of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is XOABFASBUSENPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-8-7-14-12(15)17-10(11(13)16)9-5-3-2-4-6-9/h2-8,10H,1H3,(H2,13,16)/t10-/m1/s1.
What are the key properties of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide?
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 247.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 94017809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).