N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide

C20H24N2O3S — CID 4053661

IUPACN-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-16(3)22-26(24,25)19-12-10-18(11-13-19)21-20(23)15(2)14-17-8-6-5-7-9-17/h5-14,16,22H,4H2,1-3H3,(H,21,23)
InChIKeyTWXKBRUMYYTAIG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide

N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 4053661) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID4053661
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
SMILESCCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-4-16(3)22-26(24,25)19-12-10-18(11-13-19)21-20(23)15(2)14-17-8-6-5-7-9-17/h5-14,16,22H,4H2,1-3H3,(H,21,23)
InChIKeyTWXKBRUMYYTAIG-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.81
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-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
CID 4617041
4-[[(2R)-butan-2-yl]sulfamoyl]-N-phenylbenzamide
CID 9340944
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-phenylpropanamide
CID 1304672
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-(butan-2-ylsulfamoyl)phenyl]-3-phenylpropanamide
CID 2947595
(Z)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 1309506
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide (CID 4053661) is N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide is CCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is TWXKBRUMYYTAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-4-16(3)22-26(24,25)19-12-10-18(11-13-19)21-20(23)15(2)14-17-8-6-5-7-9-17/h5-14,16,22H,4H2,1-3H3,(H,21,23).
What are the key properties of N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 372.49 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4053661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).