1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide

C19H25N3O4S2 — CID 46632633

IUPAC1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(C(C)C)cs3)C2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-13(2)17-12-27-19(20-17)21-18(23)14-5-4-10-22(11-14)28(24,25)16-8-6-15(26-3)7-9-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,20,21,23)
InChIKeySSWWGQDIVJMUGQ-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.31
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (PubChem CID 46632633) has the molecular formula C19H25N3O4S2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
PubChem CID46632633
Molecular FormulaC19H25N3O4S2
Molecular Weight423.56 g/mol
Exact Mass423.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(C(C)C)cs3)C2)cc1
InChIInChI=1S/C19H25N3O4S2/c1-13(2)17-12-27-19(20-17)21-18(23)14-5-4-10-22(11-14)28(24,25)16-8-6-15(26-3)7-9-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,20,21,23)
InChIKeySSWWGQDIVJMUGQ-UHFFFAOYSA-N
XLogP3.31
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737
(3R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 99130969
(3R)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6549496
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829248
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
1-(4-chlorophenyl)sulfonyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 16861657
(3R)-1-(4-methoxyphenyl)sulfonyl-N-(3-propan-2-ylphenyl)piperidine-3-carboxamide
CID 9226890
1-(4-methoxyphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 16829109
(3R)-1-(4-methoxyphenyl)sulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-3-carboxamide
CID 9302223
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(3S)-1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 1081613

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide (CID 46632633) is 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3nc(C(C)C)cs3)C2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is SSWWGQDIVJMUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S2/c1-13(2)17-12-27-19(20-17)21-18(23)14-5-4-10-22(11-14)28(24,25)16-8-6-15(26-3)7-9-16/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 46632633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).