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

C22H27FN2O4S2 — CID 55414514

IUPAC1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C22H27FN2O4S2/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/h3,6-10,13,17,19H,1-2,4-5,11-12,14-16H2
InChIKeySUGCKNNONAKZOF-UHFFFAOYSA-N
MW466.60 g/mol
LogP3.50
Rot. Bonds7

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

1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 55414514) has the molecular formula C22H27FN2O4S2 and a molecular weight of 466.60 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
PubChem CID55414514
Molecular FormulaC22H27FN2O4S2
Molecular Weight466.60 g/mol
Exact Mass466.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C22H27FN2O4S2/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/h3,6-10,13,17,19H,1-2,4-5,11-12,14-16H2
InChIKeySUGCKNNONAKZOF-UHFFFAOYSA-N
XLogP3.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N,N-bis(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 46401961
1-(4-fluorophenyl)sulfonyl-N-methyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 18114209
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 55389188
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
(3S)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 81126276
3-(azepan-1-ylsulfonyl)-4-chloro-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 134015179
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 16862765
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 16862692
1-(3-chloro-4-methylphenyl)sulfonyl-N-cyclopropyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 3214808
3-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)thiourea
CID 7988241
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-[[(2R)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]ethanone
CID 41187999
N-(6-ethyl-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 16862712

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide (CID 55414514) is 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SUGCKNNONAKZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O4S2/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/h3,6-10,13,17,19H,1-2,4-5,11-12,14-16H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 466.60 g/mol, XLogP of 3.50, 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-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55414514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).