(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

C22H27N3O3S — CID 8781348

IUPAC(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3S/c1-24-16-14-20(15-17-24)25(2)29(27,28)21-11-9-19(10-12-21)23-22(26)13-8-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,23,26)/b13-8+
InChIKeySUMHNGGSJRXTMF-MDWZMJQESA-N
MW413.54 g/mol
LogP3.05
Rot. Bonds6

About (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide

(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (PubChem CID 8781348) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
PubChem CID8781348
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide
SMILESCN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1
InChIInChI=1S/C22H27N3O3S/c1-24-16-14-20(15-17-24)25(2)29(27,28)21-11-9-19(10-12-21)23-22(26)13-8-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,23,26)/b13-8+
InChIKeySUMHNGGSJRXTMF-MDWZMJQESA-N
XLogP3.05
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 53.05
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-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-3-(4-methylphenyl)prop-2-enamide
CID 6231737
2-fluoro-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 8781350
3-phenyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
CID 1334857
N-methyl-N-(1-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 57398674
(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 1185492
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-[4-(acetylsulfamoyl)phenyl]-3-phenylprop-2-enamide
CID 884609
(E)-N-[4-(dimethylsulfamoyl)phenyl]-3-(3-methylphenyl)prop-2-enamide
CID 26863375
N-[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-3-phenylprop-2-enamide
CID 73382048
(E)-N,3-diphenylprop-2-enamide;ethane
CID 123527291
(E)-N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-phenylprop-2-enamide
CID 40597066
N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]-3-phenylprop-2-enamide
CID 4778490

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide (CID 8781348) is (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is CN1CCC(N(C)S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1.
What is the InChIKey of (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
The InChIKey is SUMHNGGSJRXTMF-MDWZMJQESA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-24-16-14-20(15-17-24)25(2)29(27,28)21-11-9-19(10-12-21)23-22(26)13-8-18-6-4-3-5-7-18/h3-13,20H,14-17H2,1-2H3,(H,23,26)/b13-8+.
What are the key properties of (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 413.54 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[methyl-(1-methylpiperidin-4-yl)sulfamoyl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 8781348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).