N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

C18H24N4O3S — CID 29485995

IUPACN-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H24N4O3S/c1-13(2)14-4-6-15(7-5-14)22-10-8-20-18(22)26-12-16(23)21-17(24)19-9-11-25-3/h4-8,10,13H,9,11-12H2,1-3H3,(H2,19,21,23,24)
InChIKeyBWPFGJUJVBADFU-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.56
Rot. Bonds8

About N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide

N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 29485995) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID29485995
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCOCCNC(=O)NC(=O)CSc1nccn1-c1ccc(C(C)C)cc1
InChIInChI=1S/C18H24N4O3S/c1-13(2)14-4-6-15(7-5-14)22-10-8-20-18(22)26-12-16(23)21-17(24)19-9-11-25-3/h4-8,10,13H,9,11-12H2,1-3H3,(H2,19,21,23,24)
InChIKeyBWPFGJUJVBADFU-UHFFFAOYSA-N
XLogP2.56
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 51431650
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 40791526
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24578282
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 40665507
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-propylpropanamide
CID 46675872
N-(benzylcarbamoyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 30801985
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 18161950
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 17438584
N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 41224732
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide (CID 29485995) is N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is COCCNC(=O)NC(=O)CSc1nccn1-c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is BWPFGJUJVBADFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13(2)14-4-6-15(7-5-14)22-10-8-20-18(22)26-12-16(23)21-17(24)19-9-11-25-3/h4-8,10,13H,9,11-12H2,1-3H3,(H2,19,21,23,24).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide?
N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 376.48 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 29485995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).