N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide

C15H17Cl2N3O3S — CID 4236193

IUPACN-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCSCCC1NC(=O)N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2N3O3S/c1-8(13(21)18-11-6-9(16)5-10(17)7-11)20-14(22)12(3-4-24-2)19-15(20)23/h5-8,12H,3-4H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyNRCMOTCDMCKKIV-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.99
Rot. Bonds6

About N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide

N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide (PubChem CID 4236193) has the molecular formula C15H17Cl2N3O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
PubChem CID4236193
Molecular FormulaC15H17Cl2N3O3S
Molecular Weight390.29 g/mol
Exact Mass389.04
IUPAC NameN-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide
SMILESCSCCC1NC(=O)N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C15H17Cl2N3O3S/c1-8(13(21)18-11-6-9(16)5-10(17)7-11)20-14(22)12(3-4-24-2)19-15(20)23/h5-8,12H,3-4H2,1-2H3,(H,18,21)(H,19,23)
InChIKeyNRCMOTCDMCKKIV-UHFFFAOYSA-N
XLogP2.99
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide (CID 4236193) is N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide is CSCCC1NC(=O)N(C(C)C(=O)Nc2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
The InChIKey is NRCMOTCDMCKKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3S/c1-8(13(21)18-11-6-9(16)5-10(17)7-11)20-14(22)12(3-4-24-2)19-15(20)23/h5-8,12H,3-4H2,1-2H3,(H,18,21)(H,19,23).
What are the key properties of N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide?
N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide has a molecular weight of 390.29 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]propanamide is sourced from PubChem (CID 4236193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).