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

C21H27N3O4S2 — CID 42946763

IUPACN-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C21H27N3O4S2/c1-3-24(4-2)30(27,28)18-11-9-17(10-12-18)22-20(25)16-7-5-13-23(15-16)21(26)19-8-6-14-29-19/h6,8-12,14,16H,3-5,7,13,15H2,1-2H3,(H,22,25)
InChIKeyPGIXAGKTYUXIOM-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.27
Rot. Bonds7

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

N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42946763) has the molecular formula C21H27N3O4S2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42946763
Molecular FormulaC21H27N3O4S2
Molecular Weight449.60 g/mol
Exact Mass449.14
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C21H27N3O4S2/c1-3-24(4-2)30(27,28)18-11-9-17(10-12-18)22-20(25)16-7-5-13-23(15-16)21(26)19-8-6-14-29-19/h6,8-12,14,16H,3-5,7,13,15H2,1-2H3,(H,22,25)
InChIKeyPGIXAGKTYUXIOM-UHFFFAOYSA-N
XLogP3.27
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-[4-(4-ethoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557429
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
N-(4-chlorophenyl)-1-[3-(diethylsulfamoyl)benzoyl]piperidine-3-carboxamide
CID 71681722
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947029
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42946763) is N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is PGIXAGKTYUXIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S2/c1-3-24(4-2)30(27,28)18-11-9-17(10-12-18)22-20(25)16-7-5-13-23(15-16)21(26)19-8-6-14-29-19/h6,8-12,14,16H,3-5,7,13,15H2,1-2H3,(H,22,25).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42946763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).