(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

C20H20FN3O4S2 — CID 100536740

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C20H20FN3O4S2/c1-23-17-9-6-15(11-18(17)29-20(23)26)22-19(25)13-3-2-10-24(12-13)30(27,28)16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyLRFBAMJVZUKPHC-CYBMUJFWSA-N
MW449.53 g/mol
LogP2.78
Rot. Bonds4

About (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (PubChem CID 100536740) has the molecular formula C20H20FN3O4S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
PubChem CID100536740
Molecular FormulaC20H20FN3O4S2
Molecular Weight449.53 g/mol
Exact Mass449.09
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
SMILESCn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21
InChIInChI=1S/C20H20FN3O4S2/c1-23-17-9-6-15(11-18(17)29-20(23)26)22-19(25)13-3-2-10-24(12-13)30(27,28)16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)/t13-/m1/s1
InChIKeyLRFBAMJVZUKPHC-CYBMUJFWSA-N
XLogP2.78
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)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-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide
CID 133203747
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3R)-N-(3,4-dichlorophenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26687837
(3R)-N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690986
N-(4-acetamidophenyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106163
(3S)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008719
(3R)-1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41008721
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
N-[6-acetamido-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862070
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
(3R)-N-(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 100547140
1-(4-fluorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 133166796

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide (CID 100536740) is (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is Cn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)ccc21.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
The InChIKey is LRFBAMJVZUKPHC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN3O4S2/c1-23-17-9-6-15(11-18(17)29-20(23)26)22-19(25)13-3-2-10-24(12-13)30(27,28)16-7-4-14(21)5-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,22,25)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 100536740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).