(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide

C15H17N3OS — CID 33235361

IUPAC(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Sc1nccn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-3-9-16-14(19)12(2)20-15-17-10-11-18(15)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyCCJYFTXRQBXFQX-GFCCVEGCSA-N
MW287.39 g/mol
LogP2.66
Rot. Bonds6

About (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide

(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide (PubChem CID 33235361) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
PubChem CID33235361
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@@H](C)Sc1nccn1-c1ccccc1
InChIInChI=1S/C15H17N3OS/c1-3-9-16-14(19)12(2)20-15-17-10-11-18(15)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3,(H,16,19)/t12-/m1/s1
InChIKeyCCJYFTXRQBXFQX-GFCCVEGCSA-N
XLogP2.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-enylpropanamide
CID 40675400
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-prop-2-ynylpropanamide
CID 134038367
(2R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylpropanamide
CID 8739794
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 42944877
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
(2S)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 8726103

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The IUPAC name of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide (CID 33235361) is (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide.
What is the SMILES notation for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The canonical SMILES for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide is C=CCNC(=O)[C@@H](C)Sc1nccn1-c1ccccc1.
What is the InChIKey of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide?
The InChIKey is CCJYFTXRQBXFQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-3-9-16-14(19)12(2)20-15-17-10-11-18(15)13-7-5-4-6-8-13/h3-8,10-12H,1,9H2,2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide?
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide has a molecular weight of 287.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 33235361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).