2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide

C18H23ClN4O4S — CID 41342036

IUPAC2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H23ClN4O4S/c1-3-6-20-16(25)9-23-13(10-24)8-21-18(23)28-11-17(26)22-14-7-12(19)4-5-15(14)27-2/h4-5,7-8,24H,3,6,9-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyRDNATGOEARBCOU-UHFFFAOYSA-N
MW426.93 g/mol
LogP2.29
Rot. Bonds10

About 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide

2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide (PubChem CID 41342036) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
PubChem CID41342036
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C18H23ClN4O4S/c1-3-6-20-16(25)9-23-13(10-24)8-21-18(23)28-11-17(26)22-14-7-12(19)4-5-15(14)27-2/h4-5,7-8,24H,3,6,9-11H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyRDNATGOEARBCOU-UHFFFAOYSA-N
XLogP2.29
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-ethylacetamide
CID 41341950
N'-(5-chloro-2-methoxyphenyl)-N-propylpropanediamide
CID 108940703
2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-prop-2-enylacetamide
CID 41342103
2-[2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 41342277
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 35540790
N-[(4-chlorophenyl)methyl]-2-[2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 27476139
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-(2-methoxyethyl)acetamide
CID 18571069
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4232174
N-(5-chloro-2-methoxyphenyl)-2-[[5-(2,4-dichlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17301289
N-benzyl-2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]acetamide
CID 27558412
N-[(4-chlorophenyl)methyl]-2-[5-(hydroxymethyl)-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylimidazol-1-yl]acetamide
CID 27542659
N-(5-chloro-2-methoxyphenyl)-2-[(7-oxo-5-propyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]acetamide
CID 135732078

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide (CID 41342036) is 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The InChIKey is RDNATGOEARBCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c1-3-6-20-16(25)9-23-13(10-24)8-21-18(23)28-11-17(26)22-14-7-12(19)4-5-15(14)27-2/h4-5,7-8,24H,3,6,9-11H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide has a molecular weight of 426.93 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-5-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 41342036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).