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

C19H23FN4O4S2 — CID 46379830

IUPAC1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-8-7-16(29-17)22-19(26)24-11-9-13(10-12-24)18(25)21-15-5-3-14(20)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUCNDHYJVDPGNEK-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.02
Rot. Bonds5

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

1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide (PubChem CID 46379830) 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]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
PubChem CID46379830
Molecular FormulaC19H23FN4O4S2
Molecular Weight454.55 g/mol
Exact Mass454.11
IUPAC Name1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-8-7-16(29-17)22-19(26)24-11-9-13(10-12-24)18(25)21-15-5-3-14(20)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyUCNDHYJVDPGNEK-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]-3-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 46379847
4-N-(4-chlorophenyl)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379832
4-N-cyclopropyl-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]piperidine-1,4-dicarboxamide
CID 46379836
4-(2,6-difluorobenzoyl)-N-[5-(dimethylsulfamoyl)thiophen-2-yl]piperazine-1-carboxamide
CID 46379772
(3S)-1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92895467
N-[4-(4-fluorophenyl)sulfonylphenyl]-4-methylpiperidine-1-carboxamide
CID 138992828
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[4-(cyclopropanecarbonylamino)phenyl]-4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxamide
CID 112825359
1-N-[5-(diethylsulfamoyl)thiophen-2-yl]-4-N-[2-(furan-2-yl)ethyl]piperidine-1,4-dicarboxamide
CID 46379838
N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17224011
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223995

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide (CID 46379830) is 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide is CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide?
The InChIKey is UCNDHYJVDPGNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4S2/c1-23(2)30(27,28)17-8-7-16(29-17)22-19(26)24-11-9-13(10-12-24)18(25)21-15-5-3-14(20)4-6-15/h3-8,13H,9-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide?
1-N-[5-(dimethylsulfamoyl)thiophen-2-yl]-4-N-(4-fluorophenyl)piperidine-1,4-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]-4-N-(4-fluorophenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46379830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).