(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

C20H21N3OS — CID 27519078

IUPAC(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCCn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3OS/c24-20(22-12-7-14-23-15-13-21-16-23)19(17-8-3-1-4-9-17)25-18-10-5-2-6-11-18/h1-6,8-11,13,15-16,19H,7,12,14H2,(H,22,24)/t19-/m1/s1
InChIKeyAMTLOQKNLRHRTI-LJQANCHMSA-N
MW351.48 g/mol
LogP3.92
Rot. Bonds8

About (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide

(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 27519078) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID27519078
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC Name(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(NCCCn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21N3OS/c24-20(22-12-7-14-23-15-13-21-16-23)19(17-8-3-1-4-9-17)25-18-10-5-2-6-11-18/h1-6,8-11,13,15-16,19H,7,12,14H2,(H,22,24)/t19-/m1/s1
InChIKeyAMTLOQKNLRHRTI-LJQANCHMSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
5-[(2-phenyl-2-phenylsulfanylacetyl)amino]pentanoic acid
CID 119234592
2-phenyl-2-phenylsulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 4230015
(2S)-2-(benzenesulfonamido)-N-(3-imidazol-1-ylpropyl)propanamide
CID 124507638
1-(3-imidazol-1-ylpropyl)-3-[2-methyl-2-[[(1S)-1-phenylethyl]amino]propyl]urea
CID 95294802
N-(3-imidazol-1-ylpropyl)-2,2-diphenylpropanamide
CID 2947951
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
2-amino-N-(3-imidazol-1-ylpropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669271
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide (CID 27519078) is (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(NCCCn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is AMTLOQKNLRHRTI-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-20(22-12-7-14-23-15-13-21-16-23)19(17-8-3-1-4-9-17)25-18-10-5-2-6-11-18/h1-6,8-11,13,15-16,19H,7,12,14H2,(H,22,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide?
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 351.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 27519078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).