N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

C19H26ClN3O3S — CID 47094363

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H26ClN3O3S/c1-3-9-19(10-4-2)17(25)23(18(26)22-19)13-16(24)21-11-12-27-15-7-5-14(20)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyQLVBTJAONOPAMI-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.44
Rot. Bonds10

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (PubChem CID 47094363) has the molecular formula C19H26ClN3O3S and a molecular weight of 411.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
PubChem CID47094363
Molecular FormulaC19H26ClN3O3S
Molecular Weight411.96 g/mol
Exact Mass411.14
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
SMILESCCCC1(CCC)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C19H26ClN3O3S/c1-3-9-19(10-4-2)17(25)23(18(26)22-19)13-16(24)21-11-12-27-15-7-5-14(20)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,21,24)(H,22,26)
InChIKeyQLVBTJAONOPAMI-UHFFFAOYSA-N
XLogP3.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 31441330
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8943511
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47008851
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
CID 7241972
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentylacetamide
CID 40747967
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916679
2-[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 55386178
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 51883733
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17408562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide (CID 47094363) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is CCCC1(CCC)NC(=O)N(CC(=O)NCCSc2ccc(Cl)cc2)C1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
The InChIKey is QLVBTJAONOPAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3S/c1-3-9-19(10-4-2)17(25)23(18(26)22-19)13-16(24)21-11-12-27-15-7-5-14(20)6-8-15/h5-8H,3-4,9-13H2,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide has a molecular weight of 411.96 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 47094363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).