N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C25H30N4O5S — CID 55441001

IUPACN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C25H30N4O5S/c1-25(16-15-19-7-3-2-4-8-19)23(31)29(24(32)26-25)27-22(30)14-11-20-9-12-21(13-10-20)35(33,34)28-17-5-6-18-28/h2-4,7-10,12-13H,5-6,11,14-18H2,1H3,(H,26,32)(H,27,30)
InChIKeyXECFTMYEKZDDFO-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.38
Rot. Bonds9

About N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 55441001) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID55441001
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC NameN-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O
InChIInChI=1S/C25H30N4O5S/c1-25(16-15-19-7-3-2-4-8-19)23(31)29(24(32)26-25)27-22(30)14-11-20-9-12-21(13-10-20)35(33,34)28-17-5-6-18-28/h2-4,7-10,12-13H,5-6,11,14-18H2,1H3,(H,26,32)(H,27,30)
InChIKeyXECFTMYEKZDDFO-UHFFFAOYSA-N
XLogP2.38
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 55441001) is N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O.
What is the InChIKey of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is XECFTMYEKZDDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-25(16-15-19-7-3-2-4-8-19)23(31)29(24(32)26-25)27-22(30)14-11-20-9-12-21(13-10-20)35(33,34)28-17-5-6-18-28/h2-4,7-10,12-13H,5-6,11,14-18H2,1H3,(H,26,32)(H,27,30).
What are the key properties of N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 498.61 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 55441001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).