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

C18H17N3OS — CID 41434046

IUPAC(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)[C@H](Sc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c19-17(22)16(15-9-5-2-6-10-15)23-18-20-11-12-21(18)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,19,22)/t16-/m1/s1
InChIKeyOZUGBQZNOYPQKC-MRXNPFEDSA-N
MW323.42 g/mol
LogP3.25
Rot. Bonds6

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

(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide (PubChem CID 41434046) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
PubChem CID41434046
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)[C@H](Sc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17N3OS/c19-17(22)16(15-9-5-2-6-10-15)23-18-20-11-12-21(18)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,19,22)/t16-/m1/s1
InChIKeyOZUGBQZNOYPQKC-MRXNPFEDSA-N
XLogP3.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
methyl 2-(1-ethylimidazol-2-yl)sulfanyl-2-phenylacetate
CID 60564247
(E)-3-amino-2-[2-(1-benzylimidazol-2-yl)sulfanylacetyl]but-2-enenitrile
CID 16617173
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-phenyl-2-pyrimidin-2-ylsulfanylacetamide
CID 18136130
2-[(1-benzylimidazol-2-yl)sulfanylmethyl]benzoic acid
CID 71378670
2-[[4-benzyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenylacetamide
CID 46690728
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenylacetamide
CID 86790555
N-[2-(1-benzylimidazol-2-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide
CID 134027552
2-(1-benzylimidazol-2-yl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 42883944
2-(1-benzylimidazol-2-yl)sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 17408261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide (CID 41434046) is (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide is NC(=O)[C@H](Sc1nccn1Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide?
The InChIKey is OZUGBQZNOYPQKC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-17(22)16(15-9-5-2-6-10-15)23-18-20-11-12-21(18)13-14-7-3-1-4-8-14/h1-12,16H,13H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide?
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide has a molecular weight of 323.42 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 41434046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).