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

C20H21N3O4S3 — CID 16826109

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1
InChIInChI=1S/C20H21N3O4S3/c1-27-16-8-6-14(7-9-16)17-13-29-20(21-17)22-19(24)15-4-2-10-23(12-15)30(25,26)18-5-3-11-28-18/h3,5-9,11,13,15H,2,4,10,12H2,1H3,(H,21,22,24)
InChIKeyKOQMVVIKRBKSTR-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.92
Rot. Bonds6

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 16826109) has the molecular formula C20H21N3O4S3 and a molecular weight of 463.61 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID16826109
Molecular FormulaC20H21N3O4S3
Molecular Weight463.61 g/mol
Exact Mass463.07
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)n2)cc1
InChIInChI=1S/C20H21N3O4S3/c1-27-16-8-6-14(7-9-16)17-13-29-20(21-17)22-19(24)15-4-2-10-23(12-15)30(25,26)18-5-3-11-28-18/h3,5-9,11,13,15H,2,4,10,12H2,1H3,(H,21,22,24)
InChIKeyKOQMVVIKRBKSTR-UHFFFAOYSA-N
XLogP3.92
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826107
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55414535
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 46593797
1-(benzenesulfonyl)-N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861540
1-methylsulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 43043803
1-(4-methylphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16829147
1-(benzenesulfonyl)-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16828919
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-N-[2-(4-methylphenoxy)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 25496180
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 16826109) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[4-(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)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is KOQMVVIKRBKSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S3/c1-27-16-8-6-14(7-9-16)17-13-29-20(21-17)22-19(24)15-4-2-10-23(12-15)30(25,26)18-5-3-11-28-18/h3,5-9,11,13,15H,2,4,10,12H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 16826109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).