(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide

C25H24N2O4S — CID 26889820

IUPAC(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C25H24N2O4S/c1-27(2)32(29,30)24-14-17(8-12-23(24)31-3)9-13-25(28)26-20-10-11-22-19(16-20)15-18-6-4-5-7-21(18)22/h4-14,16H,15H2,1-3H3,(H,26,28)/b13-9+
InChIKeyJZVVBHJAECNSSP-UKTHLTGXSA-N
MW448.54 g/mol
LogP4.17
Rot. Bonds6

About (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide

(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide (PubChem CID 26889820) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide
PubChem CID26889820
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC Name(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C25H24N2O4S/c1-27(2)32(29,30)24-14-17(8-12-23(24)31-3)9-13-25(28)26-20-10-11-22-19(16-20)15-18-6-4-5-7-21(18)22/h4-14,16H,15H2,1-3H3,(H,26,28)/b13-9+
InChIKeyJZVVBHJAECNSSP-UKTHLTGXSA-N
XLogP4.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9106601
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
CID 26881910
3-(3,4-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 1179409
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(2,2-diphenylethyl)prop-2-enamide
CID 26795755
N-(2,3-dihydro-1H-inden-5-yl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 4291998
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]prop-2-enamide
CID 86956047
(E)-3-(4-chloro-3-nitrophenyl)-N-(9H-fluoren-2-yl)prop-2-enamide
CID 2269262
(E)-3-(1,3-benzodioxol-5-yl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide
CID 9470081
3-(tert-butylsulfamoyl)-N-(9H-fluoren-2-yl)-4-methoxybenzamide
CID 26889796
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-quinolin-8-ylprop-2-enamide
CID 18152924
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-phenylprop-2-enamide
CID 2598603
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16599816

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide (CID 26889820) is (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1S(=O)(=O)N(C)C.
What is the InChIKey of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide?
The InChIKey is JZVVBHJAECNSSP-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-27(2)32(29,30)24-14-17(8-12-23(24)31-3)9-13-25(28)26-20-10-11-22-19(16-20)15-18-6-4-5-7-21(18)22/h4-14,16H,15H2,1-3H3,(H,26,28)/b13-9+.
What are the key properties of (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide?
(E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide has a molecular weight of 448.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(9H-fluoren-2-yl)prop-2-enamide is sourced from PubChem (CID 26889820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).