N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide

C19H22N2O3S — CID 134849487

IUPACN-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
SMILESC=CC(CN(C=O)Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-18(14-21(15-22)13-17-7-5-4-6-8-17)20-25(23,24)19-11-9-16(2)10-12-19/h3-12,15,18,20H,1,13-14H2,2H3
InChIKeyOZFYHLVDICFFAP-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.49
Rot. Bonds9

About N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide

N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide (PubChem CID 134849487) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
PubChem CID134849487
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide
SMILESC=CC(CN(C=O)Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H22N2O3S/c1-3-18(14-21(15-22)13-17-7-5-4-6-8-17)20-25(23,24)19-11-9-16(2)10-12-19/h3-12,15,18,20H,1,13-14H2,2H3
InChIKeyOZFYHLVDICFFAP-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
4-methyl-N-(1-oxobutan-2-yl)benzenesulfonamide
CID 173407704
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
[(4S)-4-[(4-methylphenyl)sulfonylamino]-5-phenylpent-1-en-3-yl] acetate
CID 54578575
N-[(1S,2R)-2-ethenyl-1-phenylhexyl]-4-methylbenzenesulfonamide
CID 5461273
4-methyl-N-(3-oxo-1-phenylpropyl)benzenesulfonamide
CID 16743861
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide?
The IUPAC name of N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide (CID 134849487) is N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide.
What is the SMILES notation for N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide?
The canonical SMILES for N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide is C=CC(CN(C=O)Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide?
The InChIKey is OZFYHLVDICFFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-3-18(14-21(15-22)13-17-7-5-4-6-8-17)20-25(23,24)19-11-9-16(2)10-12-19/h3-12,15,18,20H,1,13-14H2,2H3.
What are the key properties of N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide?
N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide has a molecular weight of 358.46 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(4-methylphenyl)sulfonylamino]but-3-enyl]formamide is sourced from PubChem (CID 134849487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).