N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

C11H18N4O3S — CID 47140774

IUPACN-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC(N)=O)nc(C)c1C
InChIInChI=1S/C11H18N4O3S/c1-7-8(2)15(4-5-18-3)11(13-7)19-6-9(16)14-10(12)17/h4-6H2,1-3H3,(H3,12,14,16,17)
InChIKeyYTTWCENDHVESBN-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.43
Rot. Bonds6

About N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide

N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (PubChem CID 47140774) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
PubChem CID47140774
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
SMILESCOCCn1c(SCC(=O)NC(N)=O)nc(C)c1C
InChIInChI=1S/C11H18N4O3S/c1-7-8(2)15(4-5-18-3)11(13-7)19-6-9(16)14-10(12)17/h4-6H2,1-3H3,(H3,12,14,16,17)
InChIKeyYTTWCENDHVESBN-UHFFFAOYSA-N
XLogP0.43
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide (CID 47140774) is N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is COCCn1c(SCC(=O)NC(N)=O)nc(C)c1C.
What is the InChIKey of N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
The InChIKey is YTTWCENDHVESBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-7-8(2)15(4-5-18-3)11(13-7)19-6-9(16)14-10(12)17/h4-6H2,1-3H3,(H3,12,14,16,17).
What are the key properties of N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide?
N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide has a molecular weight of 286.36 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 47140774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).