1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide

C26H32N4O4S — CID 55605706

IUPAC1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H32N4O4S/c31-25(18-20-8-3-1-4-9-20)30-17-7-10-21(19-30)26(32)28-22-12-14-23(15-13-22)35(33,34)29-24-11-5-2-6-16-27-24/h1,3-4,8-9,12-15,21H,2,5-7,10-11,16-19H2,(H,27,29)(H,28,32)
InChIKeyFECYFGBMEPLTDA-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.36
Rot. Bonds6

About 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide

1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 55605706) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
PubChem CID55605706
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC Name1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C26H32N4O4S/c31-25(18-20-8-3-1-4-9-20)30-17-7-10-21(19-30)26(32)28-22-12-14-23(15-13-22)35(33,34)29-24-11-5-2-6-16-27-24/h1,3-4,8-9,12-15,21H,2,5-7,10-11,16-19H2,(H,27,29)(H,28,32)
InChIKeyFECYFGBMEPLTDA-UHFFFAOYSA-N
XLogP3.36
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
CID 51937770
(2S)-5-oxo-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 9343826
(3S)-1-N,1-N-dimethyl-3-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 51956223
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55605664
N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzamide
CID 2324236
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
methyl 2-[[4-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetate
CID 55607181
(3S)-1-(4-methylphenyl)sulfonyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]piperidine-3-carboxamide
CID 125047577
2-naphthalen-2-yl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]acetamide
CID 26267039

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide (CID 55605706) is 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is FECYFGBMEPLTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c31-25(18-20-8-3-1-4-9-20)30-17-7-10-21(19-30)26(32)28-22-12-14-23(15-13-22)35(33,34)29-24-11-5-2-6-16-27-24/h1,3-4,8-9,12-15,21H,2,5-7,10-11,16-19H2,(H,27,29)(H,28,32).
What are the key properties of 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide?
1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 496.63 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55605706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).