1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione

C19H29N3O5S — CID 158116112

IUPAC1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(OCC2CC2)c[nH]1
InChIInChI=1S/C19H29N3O5S/c1-14(17-9-16(10-20-17)27-12-15-5-6-15)13-28(25,26)8-4-2-3-7-22-11-18(23)21-19(22)24/h9-10,14-15,20H,2-8,11-13H2,1H3,(H,21,23,24)
InChIKeyFRAFQGYUWAOION-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.04
Rot. Bonds12

About 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione

1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione (PubChem CID 158116112) has the molecular formula C19H29N3O5S and a molecular weight of 411.52 g/mol. Its IUPAC name is 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
PubChem CID158116112
Molecular FormulaC19H29N3O5S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
SMILESCC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(OCC2CC2)c[nH]1
InChIInChI=1S/C19H29N3O5S/c1-14(17-9-16(10-20-17)27-12-15-5-6-15)13-28(25,26)8-4-2-3-7-22-11-18(23)21-19(22)24/h9-10,14-15,20H,2-8,11-13H2,1H3,(H,21,23,24)
InChIKeyFRAFQGYUWAOION-UHFFFAOYSA-N
XLogP2.04
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-[(2R)-2-[5-(cyclopropylmethoxy)-2-fluoro-4-methylphenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 157177623
1-[5-[2-[4-(2,2,2-trifluoroethoxy)-1H-pyrrol-2-yl]butylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 160609589
1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 161192128
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-(4-fluoro-3-hydroxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-(4-fluoro-3-propan-2-yloxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 160794548
1-[5-[2-(2-pyrrolidin-1-yl-1H-imidazol-5-yl)propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158438021
1-[5-[2-[2-(propoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 158068459
1-[5-[2-[2-(2-methoxyethoxymethyl)-1H-imidazol-5-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 159929213
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpentyl]-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione;2-ethoxyethyl(trimethyl)silane
CID 158480271
1-[5-[2-[4-(cyclopropylmethoxy)-5-fluoro-6-oxo-1H-pyrimidin-2-yl]butylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 160989168
1-[5-[(2R)-2-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 146793627
4-(bromomethyl)oxane;1-[5-[(2R)-2-(4-fluoro-3-hydroxyphenyl)propyl]sulfonylpentyl]imidazolidine-2,4-dione;1-[5-[(2R)-2-[4-fluoro-3-(oxan-4-ylmethoxy)phenyl]propyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 159735410

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione (CID 158116112) is 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione is CC(CS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cc(OCC2CC2)c[nH]1.
What is the InChIKey of 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
The InChIKey is FRAFQGYUWAOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5S/c1-14(17-9-16(10-20-17)27-12-15-5-6-15)13-28(25,26)8-4-2-3-7-22-11-18(23)21-19(22)24/h9-10,14-15,20H,2-8,11-13H2,1H3,(H,21,23,24).
What are the key properties of 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 411.52 g/mol, XLogP of 2.04, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-(cyclopropylmethoxy)-1H-pyrrol-2-yl]propylsulfonyl]pentyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158116112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).