1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

C19H23FN4O4S2 — CID 46379847

IUPAC1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1
InChIInChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-10-9-16(29-17)22-19(26)24-11-3-4-13(12-24)18(25)21-15-7-5-14(20)6-8-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCFJGKNJDRQIGAL-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.02
Rot. Bonds5

About 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 46379847) has the molecular formula C19H23FN4O4S2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID46379847
Molecular FormulaC19H23FN4O4S2
Molecular Weight454.55 g/mol
Exact Mass454.11
IUPAC Name1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1
InChIInChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-10-9-16(29-17)22-19(26)24-11-3-4-13(12-24)18(25)21-15-7-5-14(20)6-8-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyCFJGKNJDRQIGAL-UHFFFAOYSA-N
XLogP3.02
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
CID 46379830
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92895467
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071
4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379832
4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide
CID 46379772
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
N-[4-(dimethylsulfamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560044
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686700
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 46379847) is 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCC(C(=O)Nc3ccc(F)cc3)C2)s1.
What is the InChIKey of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is CFJGKNJDRQIGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-10-9-16(29-17)22-19(26)24-11-3-4-13(12-24)18(25)21-15-7-5-14(20)6-8-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 454.55 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 46379847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).