N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H25N3O5S2 — CID 42947000

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25N3O5S2/c1-22(2)30(26,27)18-12-15(8-9-16(18)28-3)21-19(24)14-6-4-10-23(13-14)20(25)17-7-5-11-29-17/h5,7-9,11-12,14H,4,6,10,13H2,1-3H3,(H,21,24)
InChIKeyZZPHFDZMOHILRE-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.50
Rot. Bonds6

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42947000) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42947000
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H25N3O5S2/c1-22(2)30(26,27)18-12-15(8-9-16(18)28-3)21-19(24)14-6-4-10-23(13-14)20(25)17-7-5-11-29-17/h5,7-9,11-12,14H,4,6,10,13H2,1-3H3,(H,21,24)
InChIKeyZZPHFDZMOHILRE-UHFFFAOYSA-N
XLogP2.50
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55584917
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
N-[4-(2-methoxyphenoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559806
N-(2-methoxy-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558789
N-[4-(diethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946763
N-(3,4-dimethoxyphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511138
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
(3R)-N-[4-methyl-3-[(3-methylphenyl)sulfamoyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 51933370
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-[3-(pyrrolidine-1-carbonyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42955485

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42947000) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(C(=O)c3cccs3)C2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is ZZPHFDZMOHILRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-22(2)30(26,27)18-12-15(8-9-16(18)28-3)21-19(24)14-6-4-10-23(13-14)20(25)17-7-5-11-29-17/h5,7-9,11-12,14H,4,6,10,13H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42947000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).