N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

C22H23F2N3O4S2 — CID 53106366

IUPACN-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)ccc21
InChIInChI=1S/C22H23F2N3O4S2/c1-2-9-27-19-6-4-16(13-20(19)32-22(27)29)33(30,31)26-10-7-14(8-11-26)21(28)25-15-3-5-17(23)18(24)12-15/h3-6,12-14H,2,7-11H2,1H3,(H,25,28)
InChIKeyYZYFPBKIFFMJLZ-UHFFFAOYSA-N
MW495.57 g/mol
LogP3.79
Rot. Bonds6

About N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide

N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 53106366) has the molecular formula C22H23F2N3O4S2 and a molecular weight of 495.57 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID53106366
Molecular FormulaC22H23F2N3O4S2
Molecular Weight495.57 g/mol
Exact Mass495.11
IUPAC NameN-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
SMILESCCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)ccc21
InChIInChI=1S/C22H23F2N3O4S2/c1-2-9-27-19-6-4-16(13-20(19)32-22(27)29)33(30,31)26-10-7-14(8-11-26)21(28)25-15-3-5-17(23)18(24)12-15/h3-6,12-14H,2,7-11H2,1H3,(H,25,28)
InChIKeyYZYFPBKIFFMJLZ-UHFFFAOYSA-N
XLogP3.79
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106320
N-(3-methylsulfanylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106354
N-(3-acetylphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106352
N-(3-methoxyphenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106319
N-(4-methylcyclohexyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106361
N-(6-methyl-2-pyridinyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106318
N-benzyl-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106373
1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 53106232
N-(4-acetamidophenyl)-1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106163
N-[[(2S)-oxolan-2-yl]methyl]-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 95085367
N-(5-chloro-2-pyridinyl)-1-[(3-ethyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide
CID 53106184
N-(3,4-difluorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 24639594

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide (CID 53106366) is N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is CCCn1c(=O)sc2cc(S(=O)(=O)N3CCC(C(=O)Nc4ccc(F)c(F)c4)CC3)ccc21.
What is the InChIKey of N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is YZYFPBKIFFMJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O4S2/c1-2-9-27-19-6-4-16(13-20(19)32-22(27)29)33(30,31)26-10-7-14(8-11-26)21(28)25-15-3-5-17(23)18(24)12-15/h3-6,12-14H,2,7-11H2,1H3,(H,25,28).
What are the key properties of N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide?
N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-[(2-oxo-3-propyl-1,3-benzothiazol-6-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 53106366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).