1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide

C28H32N4O5S — CID 42882175

IUPAC1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(NS(=O)(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C28H32N4O5S/c1-20(21-8-4-2-5-9-21)31-38(35,36)26-18-23(30-27(33)19-37-24-10-6-3-7-11-24)12-13-25(26)32-16-14-22(15-17-32)28(29)34/h2-13,18,20,22,31H,14-17,19H2,1H3,(H2,29,34)(H,30,33)
InChIKeyKCPIICMXVCXCBO-UHFFFAOYSA-N
MW536.65 g/mol
LogP3.45
Rot. Bonds10

About 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 42882175) has the molecular formula C28H32N4O5S and a molecular weight of 536.65 g/mol. Its IUPAC name is 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID42882175
Molecular FormulaC28H32N4O5S
Molecular Weight536.65 g/mol
Exact Mass536.21
IUPAC Name1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(NS(=O)(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C28H32N4O5S/c1-20(21-8-4-2-5-9-21)31-38(35,36)26-18-23(30-27(33)19-37-24-10-6-3-7-11-24)12-13-25(26)32-16-14-22(15-17-32)28(29)34/h2-13,18,20,22,31H,14-17,19H2,1H3,(H2,29,34)(H,30,33)
InChIKeyKCPIICMXVCXCBO-UHFFFAOYSA-N
XLogP3.45
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.65
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(2-chloroacetyl)amino]-2-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]piperidine-4-carboxamide
CID 93018894
1-[4-[(3,5-dimethoxybenzoyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46110555
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-phenylethylsulfamoyl)phenyl]-2-phenylacetamide
CID 46110405
ethyl 1-[4-(2-methylpropanoylamino)-2-(1-phenylethylsulfamoyl)phenyl]piperidine-3-carboxylate
CID 46110456
ethyl 1-[4-(cyclopropanecarbonylamino)-2-(1-phenylethylsulfamoyl)phenyl]piperidine-3-carboxylate
CID 46110458
ethyl (3R)-1-[4-(3-cyclopentylpropanoylamino)-2-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]piperidine-3-carboxylate
CID 98640098
N-(3,4-dimethoxyphenyl)-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126150148
1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide
CID 93018883
ethyl (3S)-1-[4-(cyclohexanecarbonylamino)-2-[[(1S)-1-phenylethyl]sulfamoyl]phenyl]piperidine-3-carboxylate
CID 98410166
N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]hexanamide
CID 98394959
ethyl (3S)-1-[4-[(2,2-dichloroacetyl)amino]-2-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]piperidine-3-carboxylate
CID 98640065
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]hexanamide
CID 98394961

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 42882175) is 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide is CC(NS(=O)(=O)c1cc(NC(=O)COc2ccccc2)ccc1N1CCC(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is KCPIICMXVCXCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O5S/c1-20(21-8-4-2-5-9-21)31-38(35,36)26-18-23(30-27(33)19-37-24-10-6-3-7-11-24)12-13-25(26)32-16-14-22(15-17-32)28(29)34/h2-13,18,20,22,31H,14-17,19H2,1H3,(H2,29,34)(H,30,33).
What are the key properties of 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 536.65 g/mol, XLogP of 3.45, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42882175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).