1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one

C19H29FN4O5S — CID 135197979

IUPAC1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one
SMILESC[C@@H](NS(=O)(=O)NCCCCN1CC(=O)NC1O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H29FN4O5S/c1-13(15-6-7-16(20)17(10-15)29-12-14-4-5-14)23-30(27,28)21-8-2-3-9-24-11-18(25)22-19(24)26/h6-7,10,13-14,19,21,23,26H,2-5,8-9,11-12H2,1H3,(H,22,25)/t13-,19?/m1/s1
InChIKeyZLSOIKHLCJVPTK-BSOCMFCZSA-N
MW444.53 g/mol
LogP0.59
Rot. Bonds12

About 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one

1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one (PubChem CID 135197979) has the molecular formula C19H29FN4O5S and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one
PubChem CID135197979
Molecular FormulaC19H29FN4O5S
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one
SMILESC[C@@H](NS(=O)(=O)NCCCCN1CC(=O)NC1O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C19H29FN4O5S/c1-13(15-6-7-16(20)17(10-15)29-12-14-4-5-14)23-30(27,28)21-8-2-3-9-24-11-18(25)22-19(24)26/h6-7,10,13-14,19,21,23,26H,2-5,8-9,11-12H2,1H3,(H,22,25)/t13-,19?/m1/s1
InChIKeyZLSOIKHLCJVPTK-BSOCMFCZSA-N
XLogP0.59
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 50.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-1-[5-(cyclopropylmethoxy)-2-fluorophenyl]ethyl]-5-(2-hydroxy-4-oxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 135198126
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-hydroxy-3-oxo-1,2,4-triazolidin-1-yl)pentane-1-sulfonamide
CID 135198079
1-[7-[[(1R)-1-(4-fluoro-3-hydroxyphenyl)ethyl]amino]heptyl]-2-hydroxyimidazolidin-4-one
CID 134553623
N-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(methylamino)butane-1-sulfonamide
CID 146228258
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 146352863
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(5S)-5-methyl-2,4-dioxoimidazolidin-1-yl]pentane-1-sulfonamide
CID 155347003
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370251
3-[5-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoyl]pentyl]-2,5-dioxoimidazolidine-1-carboxylic acid
CID 134544015
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
CID 135378834
1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-N-methylethanamine
CID 142360265
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-[(2,5-dioxopyrrolidin-3-yl)methoxy]propane-1-sulfonamide
CID 146426259
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one?
The IUPAC name of 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one (CID 135197979) is 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one.
What is the SMILES notation for 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one?
The canonical SMILES for 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one is C[C@@H](NS(=O)(=O)NCCCCN1CC(=O)NC1O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one?
The InChIKey is ZLSOIKHLCJVPTK-BSOCMFCZSA-N. The full InChI is InChI=1S/C19H29FN4O5S/c1-13(15-6-7-16(20)17(10-15)29-12-14-4-5-14)23-30(27,28)21-8-2-3-9-24-11-18(25)22-19(24)26/h6-7,10,13-14,19,21,23,26H,2-5,8-9,11-12H2,1H3,(H,22,25)/t13-,19?/m1/s1.
What are the key properties of 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one?
1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one has a molecular weight of 444.53 g/mol, XLogP of 0.59, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]sulfamoylamino]butyl]-2-hydroxyimidazolidin-4-one is sourced from PubChem (CID 135197979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).