N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

C23H27N3O5S — CID 30831036

IUPACN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O5S/c1-25(2)32(30,31)19-9-10-21(27)20(16-19)24-23(29)18-12-14-26(15-13-18)22(28)11-8-17-6-4-3-5-7-17/h3-11,16,18,27H,12-15H2,1-2H3,(H,24,29)/b11-8+
InChIKeyICHJRIQPAGZHPA-DHZHZOJOSA-N
MW457.55 g/mol
LogP2.53
Rot. Bonds6

About N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (PubChem CID 30831036) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
PubChem CID30831036
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC NameN-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1
InChIInChI=1S/C23H27N3O5S/c1-25(2)32(30,31)19-9-10-21(27)20(16-19)24-23(29)18-12-14-26(15-13-18)22(28)11-8-17-6-4-3-5-7-17/h3-11,16,18,27H,12-15H2,1-2H3,(H,24,29)/b11-8+
InChIKeyICHJRIQPAGZHPA-DHZHZOJOSA-N
XLogP2.53
TPSA107.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-3-phenylprop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26500394
N-[4-(methylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26715414
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
1-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]piperidine-4-carboxamide
CID 166435529
N-[3-(cyclopropylsulfamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 33310480
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]cyclopropanecarboxamide
CID 78796735
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 37003937
1-[(E)-3-(3-bromophenyl)prop-2-enoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 26454870

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide (CID 30831036) is N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is CN(C)S(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c1.
What is the InChIKey of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
The InChIKey is ICHJRIQPAGZHPA-DHZHZOJOSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-25(2)32(30,31)19-9-10-21(27)20(16-19)24-23(29)18-12-14-26(15-13-18)22(28)11-8-17-6-4-3-5-7-17/h3-11,16,18,27H,12-15H2,1-2H3,(H,24,29)/b11-8+.
What are the key properties of N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide?
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide is sourced from PubChem (CID 30831036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).