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

C22H28N2O3S — CID 4617041

IUPACN-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-15-24(16-5-2)28(26,27)21-13-11-20(12-14-21)23-22(25)18(3)17-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,23,25)
InChIKeyQFDOIYPFXRZAHC-UHFFFAOYSA-N
MW400.54 g/mol
LogP4.54
Rot. Bonds9

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

N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 4617041) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID4617041
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1
InChIInChI=1S/C22H28N2O3S/c1-4-15-24(16-5-2)28(26,27)21-13-11-20(12-14-21)23-22(25)18(3)17-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,23,25)
InChIKeyQFDOIYPFXRZAHC-UHFFFAOYSA-N
XLogP4.54
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 54.54
H-Bond Donors ≤ 51
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]-2-methyl-3-phenylprop-2-enamide
CID 4053661
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
(Z)-2-methyl-3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1314273
N-[4-[2-chloroethyl(propyl)sulfamoyl]phenyl]acetamide
CID 63397159
[2-[[4-(dipropylsulfamoyl)phenyl]carbamoyl]phenyl] acetate
CID 1292592
benzaldehyde;4-(dipropylsulfamoyl)benzoic acid
CID 146382115
N-(4-butan-2-ylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 4119628
N,N-dipropylbenzenesulfonamide
CID 4053954
N-[4-(dipropylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17109445
2-benzylsulfanyl-N-[4-(dipropylsulfamoyl)phenyl]acetamide
CID 4091251
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
4-(dipropylsulfamoyl)benzoic acid;styrene
CID 70464418

Frequently Asked Questions

What is the IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide (CID 4617041) is N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)C(C)=Cc2ccccc2)cc1.
What is the InChIKey of N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is QFDOIYPFXRZAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-15-24(16-5-2)28(26,27)21-13-11-20(12-14-21)23-22(25)18(3)17-19-9-7-6-8-10-19/h6-14,17H,4-5,15-16H2,1-3H3,(H,23,25).
What are the key properties of N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide?
N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 400.54 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dipropylsulfamoyl)phenyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 4617041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).