2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide

C17H22N4O4S — CID 41341925

IUPAC2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NC
InChIInChI=1S/C17H22N4O4S/c1-3-25-14-7-5-4-6-13(14)20-16(24)11-26-17-19-8-12(10-22)21(17)9-15(23)18-2/h4-8,22H,3,9-11H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyUSSPSLGALRPUND-UHFFFAOYSA-N
MW378.45 g/mol
LogP1.25
Rot. Bonds9

About 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide

2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide (PubChem CID 41341925) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide
PubChem CID41341925
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide
SMILESCCOc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NC
InChIInChI=1S/C17H22N4O4S/c1-3-25-14-7-5-4-6-13(14)20-16(24)11-26-17-19-8-12(10-22)21(17)9-15(23)18-2/h4-8,22H,3,9-11H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyUSSPSLGALRPUND-UHFFFAOYSA-N
XLogP1.25
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
CID 41341946
N-benzyl-2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 41342301
2-[2-(2-anilino-2-oxoethyl)sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41341971
2-[(5-amino-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 134001453
N-(2-ethoxyphenyl)-2-[[4-ethyl-5-(2-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1242048
2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 7590722
2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide
CID 41342103
2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide
CID 39967489
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992
N-(2-ethoxyphenyl)-2-[[4-methyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19717630
2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41342036
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide (CID 41341925) is 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide is CCOc1ccccc1NC(=O)CSc1ncc(CO)n1CC(=O)NC.
What is the InChIKey of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide?
The InChIKey is USSPSLGALRPUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-3-25-14-7-5-4-6-13(14)20-16(24)11-26-17-19-8-12(10-22)21(17)9-15(23)18-2/h4-8,22H,3,9-11H2,1-2H3,(H,18,23)(H,20,24).
What are the key properties of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide?
2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide has a molecular weight of 378.45 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 41341925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).