N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide

C22H32FN3O5S — CID 135378834

IUPACN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCNC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H32FN3O5S/c1-15(17-7-8-18(23)20(13-17)31-14-16-5-6-16)26-32(29,30)12-4-2-3-11-24-19-9-10-21(27)25-22(19)28/h7-8,13,15-16,19,24,26H,2-6,9-12,14H2,1H3,(H,25,27,28)
InChIKeyNALUJVLUYNRXJB-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.16
Rot. Bonds13

About N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide (PubChem CID 135378834) has the molecular formula C22H32FN3O5S and a molecular weight of 469.58 g/mol. Its IUPAC name is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
PubChem CID135378834
Molecular FormulaC22H32FN3O5S
Molecular Weight469.58 g/mol
Exact Mass469.20
IUPAC NameN-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide
SMILESCC(NS(=O)(=O)CCCCCNC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H32FN3O5S/c1-15(17-7-8-18(23)20(13-17)31-14-16-5-6-16)26-32(29,30)12-4-2-3-11-24-19-9-10-21(27)25-22(19)28/h7-8,13,15-16,19,24,26H,2-6,9-12,14H2,1H3,(H,25,27,28)
InChIKeyNALUJVLUYNRXJB-UHFFFAOYSA-N
XLogP2.16
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide?
The IUPAC name of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide (CID 135378834) is N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide.
What is the SMILES notation for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide?
The canonical SMILES for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide is CC(NS(=O)(=O)CCCCCNC1CCC(=O)NC1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide?
The InChIKey is NALUJVLUYNRXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O5S/c1-15(17-7-8-18(23)20(13-17)31-14-16-5-6-16)26-32(29,30)12-4-2-3-11-24-19-9-10-21(27)25-22(19)28/h7-8,13,15-16,19,24,26H,2-6,9-12,14H2,1H3,(H,25,27,28).
What are the key properties of N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide?
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide has a molecular weight of 469.58 g/mol, XLogP of 2.16, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]-5-[(2,6-dioxopiperidin-3-yl)amino]pentane-1-sulfonamide is sourced from PubChem (CID 135378834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).