N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide

C16H21N3OS — CID 124845301

IUPACN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-2-10-21-12-16(20)18-15(11-19-9-8-17-13-19)14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyHKUYREILFYKEIG-HNNXBMFYSA-N
MW303.43 g/mol
LogP2.88
Rot. Bonds8

About N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide (PubChem CID 124845301) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
PubChem CID124845301
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
SMILESCCCSCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1
InChIInChI=1S/C16H21N3OS/c1-2-10-21-12-16(20)18-15(11-19-9-8-17-13-19)14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyHKUYREILFYKEIG-HNNXBMFYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.88
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-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-imidazol-1-yl-1-phenylethyl)acetamide
CID 119061136
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
N-[(1S)-2-imidazol-1-yl-1-phenylethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 99946597
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 99930822
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
N-[(1S)-1-phenylbutyl]-2-(pyridin-4-ylmethylsulfanyl)acetamide
CID 51963299
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide?
The IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide (CID 124845301) is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide.
What is the SMILES notation for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide?
The canonical SMILES for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide is CCCSCC(=O)N[C@@H](Cn1ccnc1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide?
The InChIKey is HKUYREILFYKEIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-10-21-12-16(20)18-15(11-19-9-8-17-13-19)14-6-4-3-5-7-14/h3-9,13,15H,2,10-12H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide?
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide has a molecular weight of 303.43 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide is sourced from PubChem (CID 124845301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).