(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide

C19H22N2O3S — CID 40597066

IUPAC(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-15(2)21-25(23,24)18-12-10-17(11-13-18)20-19(22)14-9-16-7-5-4-6-8-16/h4-15,21H,3H2,1-2H3,(H,20,22)/b14-9+/t15-/m1/s1
InChIKeyIFXVHURIZQYGLP-AAWPKVBNSA-N
MW358.46 g/mol
LogP3.42
Rot. Bonds7

About (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 40597066) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID40597066
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Name(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-15(2)21-25(23,24)18-12-10-17(11-13-18)20-19(22)14-9-16-7-5-4-6-8-16/h4-15,21H,3H2,1-2H3,(H,20,22)/b14-9+/t15-/m1/s1
InChIKeyIFXVHURIZQYGLP-AAWPKVBNSA-N
XLogP3.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.42
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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Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]-3-(2-chlorophenyl)prop-2-enamide
CID 4691421
(E)-N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-(furan-2-yl)prop-2-enamide
CID 51566581
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4053661
(E)-N-[[4-(butan-2-ylsulfamoyl)phenyl]carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17195825
N-[4-(benzylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 4928891
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(E)-3-[4-(methylsulfamoyl)phenyl]-N-phenylprop-2-enamide
CID 51280623
(E)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 1106549
(Z)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 2179282
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
(E)-N-[4-[ethyl(propan-2-yl)amino]phenyl]-3-phenylprop-2-enamide
CID 7892131

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 40597066) is (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide is CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is IFXVHURIZQYGLP-AAWPKVBNSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-15(2)21-25(23,24)18-12-10-17(11-13-18)20-19(22)14-9-16-7-5-4-6-8-16/h4-15,21H,3H2,1-2H3,(H,20,22)/b14-9+/t15-/m1/s1.
What are the key properties of (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 358.46 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 40597066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).