1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

C20H26N2O4S2 — CID 55364438

IUPAC1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3sccc3C)CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-10-13-27-19(15)14-21(2)20(23)16-8-11-22(12-9-16)28(24,25)18-6-4-17(26-3)5-7-18/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3
InChIKeyYVSFVWCGUDJULF-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide

1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 55364438) has the molecular formula C20H26N2O4S2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
PubChem CID55364438
Molecular FormulaC20H26N2O4S2
Molecular Weight422.57 g/mol
Exact Mass422.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3sccc3C)CC2)cc1
InChIInChI=1S/C20H26N2O4S2/c1-15-10-13-27-19(15)14-21(2)20(23)16-8-11-22(12-9-16)28(24,25)18-6-4-17(26-3)5-7-18/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3
InChIKeyYVSFVWCGUDJULF-UHFFFAOYSA-N
XLogP3.12
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
N-[(4-methoxyphenyl)methyl]-N-methyl-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26891230
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657973
N-methyl-1-(4-methylphenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 26558399
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 26594501
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 100657768
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26594400

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide (CID 55364438) is 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3sccc3C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is YVSFVWCGUDJULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S2/c1-15-10-13-27-19(15)14-21(2)20(23)16-8-11-22(12-9-16)28(24,25)18-6-4-17(26-3)5-7-18/h4-7,10,13,16H,8-9,11-12,14H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide?
1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-N-methyl-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55364438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).