5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide

C18H29FN2O3S — CID 134541012

IUPAC5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN)c1ccc(F)c(OCCC2CC2)c1
InChIInChI=1S/C18H29FN2O3S/c1-14(21-25(22,23)12-4-2-3-10-20)16-7-8-17(19)18(13-16)24-11-9-15-5-6-15/h7-8,13-15,21H,2-6,9-12,20H2,1H3
InChIKeySWZCYUOLFCLKIX-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.11
Rot. Bonds12

About 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide

5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide (PubChem CID 134541012) has the molecular formula C18H29FN2O3S and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide
PubChem CID134541012
Molecular FormulaC18H29FN2O3S
Molecular Weight372.51 g/mol
Exact Mass372.19
IUPAC Name5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCN)c1ccc(F)c(OCCC2CC2)c1
InChIInChI=1S/C18H29FN2O3S/c1-14(21-25(22,23)12-4-2-3-10-20)16-7-8-17(19)18(13-16)24-11-9-15-5-6-15/h7-8,13-15,21H,2-6,9-12,20H2,1H3
InChIKeySWZCYUOLFCLKIX-UHFFFAOYSA-N
XLogP3.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[1-(4-fluoro-3-prop-2-enoxyphenyl)ethyl]pentane-1-sulfonamide
CID 135186536
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-(2,2-dimethylpropoxy)propane-1-sulfonamide
CID 146353456
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
3-[[(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)ethyl]sulfamoyl]propyl acetate
CID 153312148
N-[(1R)-1-[3-(2,2-difluoroethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 135198061
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-3-[(2,5-dioxopyrrolidin-3-yl)methoxy]propane-1-sulfonamide
CID 146426259
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-oxo-1,4-dihydropyrazol-3-yl)pentane-1-sulfonamide
CID 155370144
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
N-[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-(5-hydroxy-3-oxo-1,2,4-triazolidin-1-yl)pentane-1-sulfonamide
CID 135198079
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
CID 135378834

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide?
The IUPAC name of 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide (CID 134541012) is 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide?
The canonical SMILES for 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCN)c1ccc(F)c(OCCC2CC2)c1.
What is the InChIKey of 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide?
The InChIKey is SWZCYUOLFCLKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2O3S/c1-14(21-25(22,23)12-4-2-3-10-20)16-7-8-17(19)18(13-16)24-11-9-15-5-6-15/h7-8,13-15,21H,2-6,9-12,20H2,1H3.
What are the key properties of 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide?
5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide has a molecular weight of 372.51 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[3-(2-cyclopropylethoxy)-4-fluorophenyl]ethyl]pentane-1-sulfonamide is sourced from PubChem (CID 134541012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).