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

C20H30N4O5S — CID 155369984

IUPACN-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccnc(OCC2CC2)c1
InChIInChI=1S/C20H30N4O5S/c1-2-17(16-8-9-21-19(12-16)29-14-15-6-7-15)23-30(27,28)11-5-3-4-10-24-13-18(25)22-20(24)26/h8-9,12,15,17,23H,2-7,10-11,13-14H2,1H3,(H,22,25,26)/t17-/m1/s1
InChIKeyHONLAQORFVOVML-QGZVFWFLSA-N
MW438.55 g/mol
LogP1.96
Rot. Bonds13

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

N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (PubChem CID 155369984) has the molecular formula C20H30N4O5S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
PubChem CID155369984
Molecular FormulaC20H30N4O5S
Molecular Weight438.55 g/mol
Exact Mass438.19
IUPAC NameN-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
SMILESCC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccnc(OCC2CC2)c1
InChIInChI=1S/C20H30N4O5S/c1-2-17(16-8-9-21-19(12-16)29-14-15-6-7-15)23-30(27,28)11-5-3-4-10-24-13-18(25)22-20(24)26/h8-9,12,15,17,23H,2-7,10-11,13-14H2,1H3,(H,22,25,26)/t17-/m1/s1
InChIKeyHONLAQORFVOVML-QGZVFWFLSA-N
XLogP1.96
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[5-(cyclopropylmethoxy)-4-fluoro-1H-pyrrol-2-yl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 148944581
N-[(1R)-1-[3-chloro-5-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370092
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
N-[(1R)-1-[5-(cyclopropylmethoxy)-4-methyl-1,2-oxazol-3-yl]-3-methylbutyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370046
1-[5-[(2R)-2-[4-chloro-3-(cyclopropylmethoxy)phenyl]butyl]sulfonylpentyl]imidazolidine-2,4-dione
CID 161192128
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-(trifluoromethyl)phenyl]ethyl]-5-(4-methylidene-2-oxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 145227534
N-[(1R)-1-[3-(cyclopropylmethoxy)phenyl]propyl]-3-(2,4-dioxopyrimidin-1-yl)propane-1-sulfonamide
CID 53232935
5-(2,4-dioxoimidazolidin-1-yl)-N-[1-(5-ethoxy-1H-imidazol-2-yl)ethyl]pentane-1-sulfonamide
CID 147072969
N-[1-[3-(cyanomethoxy)-4-fluorophenyl]ethyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 153312100
5-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-1-[2-methyl-5-(2-methylbutoxy)phenyl]ethyl]pentane-1-sulfonamide
CID 135198022
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The IUPAC name of N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide (CID 155369984) is N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The canonical SMILES for N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is CC[C@@H](NS(=O)(=O)CCCCCN1CC(=O)NC1=O)c1ccnc(OCC2CC2)c1.
What is the InChIKey of N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
The InChIKey is HONLAQORFVOVML-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N4O5S/c1-2-17(16-8-9-21-19(12-16)29-14-15-6-7-15)23-30(27,28)11-5-3-4-10-24-13-18(25)22-20(24)26/h8-9,12,15,17,23H,2-7,10-11,13-14H2,1H3,(H,22,25,26)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide?
N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide has a molecular weight of 438.55 g/mol, XLogP of 1.96, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[2-(cyclopropylmethoxy)-4-pyridinyl]propyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide is sourced from PubChem (CID 155369984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).