(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

C18H19FN2O3S — CID 30906887

IUPAC(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-25(23,24)21-17-8-5-14(6-9-17)7-10-18(22)20-12-11-15-3-2-4-16(19)13-15/h2-10,13,21H,11-12H2,1H3,(H,20,22)/b10-7+
InChIKeyDPGQOZKDYCHVSC-JXMROGBWSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds7

About (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide

(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (PubChem CID 30906887) has the molecular formula C18H19FN2O3S and a molecular weight of 362.43 g/mol. Its IUPAC name is (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
PubChem CID30906887
Molecular FormulaC18H19FN2O3S
Molecular Weight362.43 g/mol
Exact Mass362.11
IUPAC Name(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
SMILESCS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O3S/c1-25(23,24)21-17-8-5-14(6-9-17)7-10-18(22)20-12-11-15-3-2-4-16(19)13-15/h2-10,13,21H,11-12H2,1H3,(H,20,22)/b10-7+
InChIKeyDPGQOZKDYCHVSC-JXMROGBWSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide (CID 30906887) is (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is CS(=O)(=O)Nc1ccc(/C=C/C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
The InChIKey is DPGQOZKDYCHVSC-JXMROGBWSA-N. The full InChI is InChI=1S/C18H19FN2O3S/c1-25(23,24)21-17-8-5-14(6-9-17)7-10-18(22)20-12-11-15-3-2-4-16(19)13-15/h2-10,13,21H,11-12H2,1H3,(H,20,22)/b10-7+.
What are the key properties of (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide?
(E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide has a molecular weight of 362.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3-fluorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide is sourced from PubChem (CID 30906887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).