N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide

C17H22N4O5S — CID 121160161

IUPACN-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(C)c1
InChIInChI=1S/C17H22N4O5S/c1-3-15(22)19-12-4-5-14(11(2)8-12)27(25,26)20-7-6-13(10-20)21-16(23)9-18-17(21)24/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyCVJYPTKLPLYYSU-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.66
Rot. Bonds5

About N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide

N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide (PubChem CID 121160161) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
PubChem CID121160161
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(C)c1
InChIInChI=1S/C17H22N4O5S/c1-3-15(22)19-12-4-5-14(11(2)8-12)27(25,26)20-7-6-13(10-20)21-16(23)9-18-17(21)24/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,18,24)(H,19,22)
InChIKeyCVJYPTKLPLYYSU-UHFFFAOYSA-N
XLogP0.66
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 90639440
3-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160104
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160117
N-[3-methyl-4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]sulfonylphenyl]propanamide
CID 90629296
N-[4-[(1,1-dioxo-7-thiophen-2-yl-1,4-thiazepan-4-yl)sulfonyl]-3-methylphenyl]propanamide
CID 121191744
N-[3-methyl-4-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-ylsulfonyl)phenyl]propanamide
CID 71785159
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
3-[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160129
N-[4-[[7-(1,3-benzodioxol-5-yl)-1,4-thiazepan-4-yl]sulfonyl]-3-methylphenyl]propanamide
CID 90631046
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
CID 16887567
3-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160153

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide (CID 121160161) is N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(N3C(=O)CNC3=O)C2)c(C)c1.
What is the InChIKey of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The InChIKey is CVJYPTKLPLYYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-3-15(22)19-12-4-5-14(11(2)8-12)27(25,26)20-7-6-13(10-20)21-16(23)9-18-17(21)24/h4-5,8,13H,3,6-7,9-10H2,1-2H3,(H,18,24)(H,19,22).
What are the key properties of N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide has a molecular weight of 394.45 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide is sourced from PubChem (CID 121160161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).