N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C21H27N3O4S2 — CID 46510399

IUPACN-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C21H27N3O4S2/c1-2-3-11-22-30(27,28)18-7-4-6-17(15-18)23-20(25)16-9-12-24(13-10-16)21(26)19-8-5-14-29-19/h4-8,14-16,22H,2-3,9-13H2,1H3,(H,23,25)
InChIKeyPFHNGIQIWXVMJC-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.32
Rot. Bonds8

About N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46510399) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46510399
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC NameN-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1
InChIInChI=1S/C21H27N3O4S2/c1-2-3-11-22-30(27,28)18-7-4-6-17(15-18)23-20(25)16-9-12-24(13-10-16)21(26)19-8-5-14-29-19/h4-8,14-16,22H,2-3,9-13H2,1H3,(H,23,25)
InChIKeyPFHNGIQIWXVMJC-UHFFFAOYSA-N
XLogP3.32
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butylsulfamoyl)phenyl]-3-chlorocyclobutane-1-carboxamide
CID 126830291
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-[4-(butylsulfamoyl)phenyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 17081720
diethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 46563548
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224205
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224174
N-butyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 17226649
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
3-(azepane-1-carbonyl)-N-butylbenzenesulfonamide
CID 17226694
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040

Frequently Asked Questions

What is the IUPAC name of N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46510399) is N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCCCNS(=O)(=O)c1cccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c1.
What is the InChIKey of N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PFHNGIQIWXVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c1-2-3-11-22-30(27,28)18-7-4-6-17(15-18)23-20(25)16-9-12-24(13-10-16)21(26)19-8-5-14-29-19/h4-8,14-16,22H,2-3,9-13H2,1H3,(H,23,25).
What are the key properties of N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46510399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).