N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C20H20FN3O4S3 — CID 55414535

IUPACN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1F
InChIInChI=1S/C20H20FN3O4S3/c1-28-17-7-6-13(10-15(17)21)16-12-30-20(22-16)23-19(25)14-4-2-8-24(11-14)31(26,27)18-5-3-9-29-18/h3,5-7,9-10,12,14H,2,4,8,11H2,1H3,(H,22,23,25)
InChIKeyDWHSDTZYFNWLAA-UHFFFAOYSA-N
MW481.60 g/mol
LogP4.06
Rot. Bonds6

About N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 55414535) has the molecular formula C20H20FN3O4S3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID55414535
Molecular FormulaC20H20FN3O4S3
Molecular Weight481.60 g/mol
Exact Mass481.06
IUPAC NameN-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1F
InChIInChI=1S/C20H20FN3O4S3/c1-28-17-7-6-13(10-15(17)21)16-12-30-20(22-16)23-19(25)14-4-2-8-24(11-14)31(26,27)18-5-3-9-29-18/h3,5-7,9-10,12,14H,2,4,8,11H2,1H3,(H,22,23,25)
InChIKeyDWHSDTZYFNWLAA-UHFFFAOYSA-N
XLogP4.06
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826109
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
1-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16828919
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 55412270
(3R)-1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]piperidine-3-carboxamide
CID 100796037
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
(3S)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100801325
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 16561590
3-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119690539
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 55414535) is N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is COc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1F.
What is the InChIKey of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DWHSDTZYFNWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S3/c1-28-17-7-6-13(10-15(17)21)16-12-30-20(22-16)23-19(25)14-4-2-8-24(11-14)31(26,27)18-5-3-9-29-18/h3,5-7,9-10,12,14H,2,4,8,11H2,1H3,(H,22,23,25).
What are the key properties of N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55414535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).