2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide

C14H17N3OS — CID 40529460

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-11(12-6-4-3-5-7-12)16-13(18)10-19-14-15-8-9-17(14)2/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNGKAGDUALCFDGA-NSHDSACASA-N
MW275.38 g/mol
LogP2.39
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 40529460) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
PubChem CID40529460
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
SMILESC[C@H](NC(=O)CSc1nccn1C)c1ccccc1
InChIInChI=1S/C14H17N3OS/c1-11(12-6-4-3-5-7-12)16-13(18)10-19-14-15-8-9-17(14)2/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyNGKAGDUALCFDGA-NSHDSACASA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529502
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
N-(1-phenylethyl)-2-(1-propylimidazol-2-yl)sulfanylacetamide
CID 18085661
2-(1-methylimidazol-2-yl)sulfanyl-N-(1-naphthalen-1-ylethyl)acetamide
CID 46665664
N-[(2R)-butan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 28699058
5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 134062990
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
N-[(1R)-1-phenylethyl]-2-pyridin-2-ylsulfanylacetamide
CID 684786
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40704801
N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
2-(1-methylimidazol-2-yl)sulfanyl-N-[4-(N-propan-2-ylanilino)phenyl]acetamide
CID 23987303
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide (CID 40529460) is 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide is C[C@H](NC(=O)CSc1nccn1C)c1ccccc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is NGKAGDUALCFDGA-NSHDSACASA-N. The full InChI is InChI=1S/C14H17N3OS/c1-11(12-6-4-3-5-7-12)16-13(18)10-19-14-15-8-9-17(14)2/h3-9,11H,10H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 40529460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).