(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide

C24H31FN2O5S — CID 146228099

IUPAC(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
SMILESO=C1CCC(CCC/C=C/CS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C24H31FN2O5S/c25-20-10-9-19(15-21(20)32-16-17-6-7-17)24(12-13-24)27-33(30,31)14-4-2-1-3-5-18-8-11-22(28)26-23(18)29/h2,4,9-10,15,17-18,27H,1,3,5-8,11-14,16H2,(H,26,28,29)/b4-2+
InChIKeyTYWHCZXWZYQMHC-DUXPYHPUSA-N
MW478.59 g/mol
LogP3.30
Rot. Bonds12

About (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide

(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide (PubChem CID 146228099) has the molecular formula C24H31FN2O5S and a molecular weight of 478.59 g/mol. Its IUPAC name is (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide.

Molecular Properties

Compound Name(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
PubChem CID146228099
Molecular FormulaC24H31FN2O5S
Molecular Weight478.59 g/mol
Exact Mass478.19
IUPAC Name(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
SMILESO=C1CCC(CCC/C=C/CS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1
InChIInChI=1S/C24H31FN2O5S/c25-20-10-9-19(15-21(20)32-16-17-6-7-17)24(12-13-24)27-33(30,31)14-4-2-1-3-5-18-8-11-22(28)26-23(18)29/h2,4,9-10,15,17-18,27H,1,3,5-8,11-14,16H2,(H,26,28,29)/b4-2+
InChIKeyTYWHCZXWZYQMHC-DUXPYHPUSA-N
XLogP3.30
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 140886486
3-[(E)-7-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553665
(E)-N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,4-dioxoimidazolidin-1-yl)pent-3-ene-1-sulfonamide
CID 162462714
5-amino-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]pentane-1-sulfonamide
CID 135218464
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-3-methoxypropane-1-sulfonamide
CID 170119509
N-[1-[3-(cycloheptylmethoxy)-4-fluorophenyl]cyclopropyl]but-3-ene-1-sulfonamide
CID 162462712
3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
CID 147666390
3-[(Z)-7-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553801
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-4-(2,6-dioxopiperidin-3-yl)butane-1-sulfonamide
CID 134558234
3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione
CID 142360550
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826
3-[(Z)-5-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpent-2-enyl]piperidine-2,6-dione
CID 152958004

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide?
The IUPAC name of (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide (CID 146228099) is (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide.
What is the SMILES notation for (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide?
The canonical SMILES for (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide is O=C1CCC(CCC/C=C/CS(=O)(=O)NC2(c3ccc(F)c(OCC4CC4)c3)CC2)C(=O)N1.
What is the InChIKey of (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide?
The InChIKey is TYWHCZXWZYQMHC-DUXPYHPUSA-N. The full InChI is InChI=1S/C24H31FN2O5S/c25-20-10-9-19(15-21(20)32-16-17-6-7-17)24(12-13-24)27-33(30,31)14-4-2-1-3-5-18-8-11-22(28)26-23(18)29/h2,4,9-10,15,17-18,27H,1,3,5-8,11-14,16H2,(H,26,28,29)/b4-2+.
What are the key properties of (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide?
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide has a molecular weight of 478.59 g/mol, XLogP of 3.30, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide is sourced from PubChem (CID 146228099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).