1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide

C22H23FN2O3S3 — CID 46401961

IUPAC1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H23FN2O3S3/c23-18-7-9-21(10-8-18)31(27,28)25-11-1-4-17(14-25)22(26)24(15-19-5-2-12-29-19)16-20-6-3-13-30-20/h2-3,5-10,12-13,17H,1,4,11,14-16H2
InChIKeyINBOVWRGKIAYOA-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.58
Rot. Bonds7

About 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 46401961) has the molecular formula C22H23FN2O3S3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID46401961
Molecular FormulaC22H23FN2O3S3
Molecular Weight478.64 g/mol
Exact Mass478.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C22H23FN2O3S3/c23-18-7-9-21(10-8-18)31(27,28)25-11-1-4-17(14-25)22(26)24(15-19-5-2-12-29-19)16-20-6-3-13-30-20/h2-3,5-10,12-13,17H,1,4,11,14-16H2
InChIKeyINBOVWRGKIAYOA-UHFFFAOYSA-N
XLogP4.58
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55414514
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3214808
1-(4-fluorophenyl)sulfonyl-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 55414484
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18162229
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55413326

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 46401961) is 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is INBOVWRGKIAYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S3/c23-18-7-9-21(10-8-18)31(27,28)25-11-1-4-17(14-25)22(26)24(15-19-5-2-12-29-19)16-20-6-3-13-30-20/h2-3,5-10,12-13,17H,1,4,11,14-16H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 46401961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).