(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C15H19N3OS — CID 40670366

IUPAC(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N(C)C
InChIInChI=1S/C15H19N3OS/c1-11(14(19)17(2)3)20-15-16-10-13(18(15)4)12-8-6-5-7-9-12/h5-11H,1-4H3/t11-/m1/s1
InChIKeyHXXXVZHTVCVMIF-LLVKDONJSA-N
MW289.40 g/mol
LogP2.66
Rot. Bonds4

About (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide

(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 40670366) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID40670366
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N(C)C
InChIInChI=1S/C15H19N3OS/c1-11(14(19)17(2)3)20-15-16-10-13(18(15)4)12-8-6-5-7-9-12/h5-11H,1-4H3/t11-/m1/s1
InChIKeyHXXXVZHTVCVMIF-LLVKDONJSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-phenylpropanamide
CID 40518760
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 46625995
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-phenylphenyl)propanamide
CID 40510794
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 51236617
N,N-dimethyl-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 51209021
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 51236618
(2S)-2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 40795328
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 17398164
(2R)-2-[1-(3-chlorophenyl)-5-phenylimidazol-2-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 25406685
(2R)-2-[1-(2,3-dimethylphenyl)-5-phenylimidazol-2-yl]sulfanyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methylpropanamide
CID 27980538
(2S)-2-[5-(4-bromophenyl)-1-methylimidazol-2-yl]sulfanyl-N-(methylcarbamoyl)propanamide
CID 40656888

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 40670366) is (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)N(C)C.
What is the InChIKey of (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is HXXXVZHTVCVMIF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11(14(19)17(2)3)20-15-16-10-13(18(15)4)12-8-6-5-7-9-12/h5-11H,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
(2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40670366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).