5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide

C20H26N2O3S2 — CID 53067986

IUPAC5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)16-6-8-17(9-7-16)21-27(24,25)20-11-10-18(26-20)14-19(23)22-12-4-3-5-13-22/h6-11,15,21H,3-5,12-14H2,1-2H3
InChIKeyQSSHUZANEPUYNL-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.23
Rot. Bonds6

About 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide

5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide (PubChem CID 53067986) has the molecular formula C20H26N2O3S2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
PubChem CID53067986
Molecular FormulaC20H26N2O3S2
Molecular Weight406.57 g/mol
Exact Mass406.14
IUPAC Name5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1
InChIInChI=1S/C20H26N2O3S2/c1-15(2)16-6-8-17(9-7-16)21-27(24,25)20-11-10-18(26-20)14-19(23)22-12-4-3-5-13-22/h6-11,15,21H,3-5,12-14H2,1-2H3
InChIKeyQSSHUZANEPUYNL-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-5-(2-oxo-2-piperidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067981
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059185
5-[2-(azocan-1-yl)-2-oxoethyl]thiophene-2-sulfonamide
CID 60759039
N-(5-chloro-2,4-dimethoxyphenyl)-5-(2-oxo-2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 53067911
2-[5-(azepan-1-ylsulfonyl)thiophen-2-yl]-1-piperidin-1-ylethanone
CID 53067970
5-ethyl-N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 61454703
4-[(5-bromothiophen-2-yl)sulfonylamino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 41172425
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068635
N-[[5-[(4-butan-2-ylphenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16553889
5-ethyl-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]thiophene-2-sulfonamide
CID 110351659
N-[4-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]phenyl]thiophene-2-sulfonamide
CID 55814844

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide (CID 53067986) is 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(CC(=O)N3CCCCC3)s2)cc1.
What is the InChIKey of 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide?
The InChIKey is QSSHUZANEPUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S2/c1-15(2)16-6-8-17(9-7-16)21-27(24,25)20-11-10-18(26-20)14-19(23)22-12-4-3-5-13-22/h6-11,15,21H,3-5,12-14H2,1-2H3.
What are the key properties of 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide?
5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide has a molecular weight of 406.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-piperidin-1-ylethyl)-N-(4-propan-2-ylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 53067986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).