3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide

C19H25N3O5S — CID 134553638

IUPAC3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
SMILESO=C1CN(C/C=C/CCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C19H25N3O5S/c23-18-13-22(19(24)21-18)11-4-2-1-3-10-20-28(25,26)17-7-5-6-16(12-17)27-14-15-8-9-15/h2,4-7,12,15,20H,1,3,8-11,13-14H2,(H,21,23,24)/b4-2+
InChIKeyKYXTVOWNZSIKMQ-DUXPYHPUSA-N
MW407.49 g/mol
LogP1.64
Rot. Bonds11

About 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide

3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide (PubChem CID 134553638) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
PubChem CID134553638
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide
SMILESO=C1CN(C/C=C/CCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1
InChIInChI=1S/C19H25N3O5S/c23-18-13-22(19(24)21-18)11-4-2-1-3-10-20-28(25,26)17-7-5-6-16(12-17)27-14-15-8-9-15/h2,4-7,12,15,20H,1,3,8-11,13-14H2,(H,21,23,24)/b4-2+
InChIKeyKYXTVOWNZSIKMQ-DUXPYHPUSA-N
XLogP1.64
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 51.64
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-N-[3-[2-(2,4-dioxoimidazolidin-1-yl)ethoxy]propyl]benzenesulfonamide
CID 134542844
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxo-1,3-diazinan-1-yl)hex-4-enyl]-4-fluorobenzenesulfonamide
CID 134543766
3-(2,2-difluoroethoxy)-N-[6-(2,4-dioxoimidazolidin-1-yl)hexyl]benzenesulfonamide
CID 146230379
1-[(E)-5-[(2R)-2-[3-(cyclopropylmethoxy)phenyl]propyl]sulfonylpent-2-enyl]-1,3-diazinane-2,4-dione
CID 149387417
2-[3-[[3-(cyclopropylmethoxy)phenyl]sulfonylamino]propoxy]ethyl methanesulfonate
CID 146219495
1-[3-[1-[3-(cyclopropylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypropyl]imidazolidine-2,4-dione
CID 153447198
1-[2-[4-[3-(cyclopropylmethoxy)phenyl]sulfonylbutoxy]ethyl]-1,3-diazinane-2,4-dione
CID 157454422
3-(2,2-difluoroethoxy)-N-[[6-[(2,4-dioxoimidazolidin-1-yl)methyl]-3-pyridinyl]methyl]benzenesulfonamide
CID 146230403
1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
CID 142361163
(E)-N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pent-3-ene-1-sulfonamide
CID 162462714
1-[(E)-5-[(2R)-2-[3-(2-hydroxy-2-methylpropoxy)phenyl]propyl]sulfonylpent-2-enyl]imidazolidine-2,4-dione
CID 147856409
1-[3-(cyclopropylmethoxy)phenyl]sulfanylpiperidine;1-(3-hydroxypropyl)imidazolidine-2,4-dione
CID 162531923

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide (CID 134553638) is 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide is O=C1CN(C/C=C/CCCNS(=O)(=O)c2cccc(OCC3CC3)c2)C(=O)N1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide?
The InChIKey is KYXTVOWNZSIKMQ-DUXPYHPUSA-N. The full InChI is InChI=1S/C19H25N3O5S/c23-18-13-22(19(24)21-18)11-4-2-1-3-10-20-28(25,26)17-7-5-6-16(12-17)27-14-15-8-9-15/h2,4-7,12,15,20H,1,3,8-11,13-14H2,(H,21,23,24)/b4-2+.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide?
3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide has a molecular weight of 407.49 g/mol, XLogP of 1.64, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(E)-6-(2,4-dioxoimidazolidin-1-yl)hex-4-enyl]benzenesulfonamide is sourced from PubChem (CID 134553638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).