N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide

C18H22N2O5S2 — CID 50777538

IUPACN-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1
InChIInChI=1S/C18H22N2O5S2/c1-24-14-6-7-16(25-2)15(11-14)19-27(22,23)17-10-13(12-26-17)18(21)20-8-4-3-5-9-20/h6-7,10-12,19H,3-5,8-9H2,1-2H3
InChIKeyGZOSXARHPNCGKB-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.19
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide

N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide (PubChem CID 50777538) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
PubChem CID50777538
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1
InChIInChI=1S/C18H22N2O5S2/c1-24-14-6-7-16(25-2)15(11-14)19-27(22,23)17-10-13(12-26-17)18(21)20-8-4-3-5-9-20/h6-7,10-12,19H,3-5,8-9H2,1-2H3
InChIKeyGZOSXARHPNCGKB-UHFFFAOYSA-N
XLogP3.19
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777514
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)thiophene-2-sulfonamide
CID 50777685
N-(3,4-dimethylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806843
N-(4-chloro-2-fluorophenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777456
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
N-(2,5-diethoxyphenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126413
N-(2,5-dimethoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102951
N-(4-methoxyphenyl)-4-[5-(piperidine-1-carbonyl)-1,3,4-oxadiazol-2-yl]thiophene-2-sulfonamide
CID 53127489
N-(3-acetylphenyl)-4-(azepane-1-carbonyl)thiophene-2-sulfonamide
CID 50777717
4-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)thiophene-2-sulfonamide
CID 50777549
N-(3-methylphenyl)-4-(pyrrolidine-1-carbonyl)thiophene-2-sulfonamide
CID 50806760
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide (CID 50777538) is N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
The InChIKey is GZOSXARHPNCGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-24-14-6-7-16(25-2)15(11-14)19-27(22,23)17-10-13(12-26-17)18(21)20-8-4-3-5-9-20/h6-7,10-12,19H,3-5,8-9H2,1-2H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide?
N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide has a molecular weight of 410.52 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(piperidine-1-carbonyl)thiophene-2-sulfonamide is sourced from PubChem (CID 50777538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).