(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

C15H18N4O2S — CID 7870866

IUPAC(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C15H18N4O2S/c1-9-4-5-12(10(2)8-9)19-7-6-17-15(19)22-11(3)13(20)18-14(16)21/h4-8,11H,1-3H3,(H3,16,18,20,21)/t11-/m1/s1
InChIKeyDCNDCWLSGDLLHL-LLVKDONJSA-N
MW318.40 g/mol
LogP2.16
Rot. Bonds4

About (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide

(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (PubChem CID 7870866) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
PubChem CID7870866
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
SMILESCc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c(C)c1
InChIInChI=1S/C15H18N4O2S/c1-9-4-5-12(10(2)8-9)19-7-6-17-15(19)22-11(3)13(20)18-14(16)21/h4-8,11H,1-3H3,(H3,16,18,20,21)/t11-/m1/s1
InChIKeyDCNDCWLSGDLLHL-LLVKDONJSA-N
XLogP2.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide
CID 40704918
(2S)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)propanamide
CID 7870840
N-(4-chlorophenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18226408
N-(3-cyanothiophen-2-yl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24577725
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 40718117
(2S)-N-carbamoyl-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616394
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 46629780
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
(2R)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(4-fluorophenyl)methyl]propanamide
CID 40675254
N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 43027462
methyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate
CID 55492079

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide (CID 7870866) is (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c(C)c1.
What is the InChIKey of (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
The InChIKey is DCNDCWLSGDLLHL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-9-4-5-12(10(2)8-9)19-7-6-17-15(19)22-11(3)13(20)18-14(16)21/h4-8,11H,1-3H3,(H3,16,18,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide?
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 7870866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).