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

C18H24N4O4S — CID 41341946

IUPAC2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C18H24N4O4S/c1-3-19-16(24)10-22-13(11-23)9-20-18(22)27-12-17(25)21-14-7-5-6-8-15(14)26-4-2/h5-9,23H,3-4,10-12H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyPBWVDXDKFVFHJV-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.64
Rot. Bonds10

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

2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide (PubChem CID 41341946) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
PubChem CID41341946
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
SMILESCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OCC
InChIInChI=1S/C18H24N4O4S/c1-3-19-16(24)10-22-13(11-23)9-20-18(22)27-12-17(25)21-14-7-5-6-8-15(14)26-4-2/h5-9,23H,3-4,10-12H2,1-2H3,(H,19,24)(H,21,25)
InChIKeyPBWVDXDKFVFHJV-UHFFFAOYSA-N
XLogP1.64
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.64
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-methylacetamide
CID 41341925
N-benzyl-2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 41342301
2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
CID 41341950
N-ethyl-2-[5-(hydroxymethyl)-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylimidazol-1-yl]acetamide
CID 41341957
2-[2-(2-anilino-2-oxoethyl)sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41341971
2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
CID 41342036
2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide
CID 41342103
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-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 41342372
N-(2-ethoxyphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329894
2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide
CID 39967489

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide (CID 41341946) is 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide is CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OCC.
What is the InChIKey of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide?
The InChIKey is PBWVDXDKFVFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-19-16(24)10-22-13(11-23)9-20-18(22)27-12-17(25)21-14-7-5-6-8-15(14)26-4-2/h5-9,23H,3-4,10-12H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of 2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide?
2-[2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide has a molecular weight of 392.48 g/mol, XLogP of 1.64, 10 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-ethylacetamide is sourced from PubChem (CID 41341946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).