1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

C19H24N2O6S2 — CID 55412270

IUPAC1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-14(11-16(26-2)18(15)27-3)20-19(22)13-6-4-8-21(12-13)29(23,24)17-7-5-9-28-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3,(H,20,22)
InChIKeyZHAIQZWPMFJWCH-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.81
Rot. Bonds7

About 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide

1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 55412270) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
PubChem CID55412270
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc(OC)c1OC
InChIInChI=1S/C19H24N2O6S2/c1-25-15-10-14(11-16(26-2)18(15)27-3)20-19(22)13-6-4-8-21(12-13)29(23,24)17-7-5-9-28-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3,(H,20,22)
InChIKeyZHAIQZWPMFJWCH-UHFFFAOYSA-N
XLogP2.81
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 55956907
(3S)-N-(4-methoxyphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51427170
methyl 3-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 46764341
(3R)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 99644769
(3S)-N-(3,4-difluorophenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 7012522
N-methoxy-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51279399
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-(2-methoxydibenzofuran-3-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 43013525
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 42923024
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
(3R)-1-thiophen-2-ylsulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 31942735
(3R)-N-[3-(hydroxymethyl)phenyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9092353

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide (CID 55412270) is 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is COc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc(OC)c1OC.
What is the InChIKey of 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is ZHAIQZWPMFJWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-25-15-10-14(11-16(26-2)18(15)27-3)20-19(22)13-6-4-8-21(12-13)29(23,24)17-7-5-9-28-17/h5,7,9-11,13H,4,6,8,12H2,1-3H3,(H,20,22).
What are the key properties of 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide?
1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 55412270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).