N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

C21H31N3O5S — CID 134541455

IUPACN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C21H31N3O5S/c1-2-19(17-7-6-8-18(13-17)29-15-16-9-10-16)23-30(27,28)12-5-3-4-11-24-14-20(25)22-21(24)26/h6-8,13,16,19,23H,2-5,9-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1
InChIKeyFOIXHQBQZMRLTC-LJQANCHMSA-N
MW437.56 g/mol
LogP2.57
Rot. Bonds13

About N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide

N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 134541455) has the molecular formula C21H31N3O5S and a molecular weight of 437.56 g/mol. Its IUPAC name is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID134541455
Molecular FormulaC21H31N3O5S
Molecular Weight437.56 g/mol
Exact Mass437.20
IUPAC NameN-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cccc(OCC2CC2)c1
InChIInChI=1S/C21H31N3O5S/c1-2-19(17-7-6-8-18(13-17)29-15-16-9-10-16)23-30(27,28)12-5-3-4-11-24-14-20(25)22-21(24)26/h6-8,13,16,19,23H,2-5,9-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1
InChIKeyFOIXHQBQZMRLTC-LJQANCHMSA-N
XLogP2.57
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.56
LogP ≤ 52.57
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 134541455) is N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1cccc(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is FOIXHQBQZMRLTC-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O5S/c1-2-19(17-7-6-8-18(13-17)29-15-16-9-10-16)23-30(27,28)12-5-3-4-11-24-14-20(25)22-21(24)26/h6-8,13,16,19,23H,2-5,9-12,14-15H2,1H3,(H,22,25,26)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 437.56 g/mol, XLogP of 2.57, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 134541455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).