N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

C22H25N3O3S2 — CID 67492282

IUPACN-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC(CC3CC3)c3ccccn3)s2)c(C)[nH]c1=O
InChIInChI=1S/C22H25N3O3S2/c1-3-16-13-17(14(2)24-22(16)26)20-9-10-21(29-20)30(27,28)25-19(12-15-7-8-15)18-6-4-5-11-23-18/h4-6,9-11,13,15,19,25H,3,7-8,12H2,1-2H3,(H,24,26)
InChIKeyVYDXBKGVRGAFIO-UHFFFAOYSA-N
MW443.59 g/mol
LogP4.19
Rot. Bonds8

About N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide

N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (PubChem CID 67492282) has the molecular formula C22H25N3O3S2 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
PubChem CID67492282
Molecular FormulaC22H25N3O3S2
Molecular Weight443.59 g/mol
Exact Mass443.13
IUPAC NameN-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide
SMILESCCc1cc(-c2ccc(S(=O)(=O)NC(CC3CC3)c3ccccn3)s2)c(C)[nH]c1=O
InChIInChI=1S/C22H25N3O3S2/c1-3-16-13-17(14(2)24-22(16)26)20-9-10-21(29-20)30(27,28)25-19(12-15-7-8-15)18-6-4-5-11-23-18/h4-6,9-11,13,15,19,25H,3,7-8,12H2,1-2H3,(H,24,26)
InChIKeyVYDXBKGVRGAFIO-UHFFFAOYSA-N
XLogP4.19
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide (CID 67492282) is N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is CCc1cc(-c2ccc(S(=O)(=O)NC(CC3CC3)c3ccccn3)s2)c(C)[nH]c1=O.
What is the InChIKey of N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
The InChIKey is VYDXBKGVRGAFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S2/c1-3-16-13-17(14(2)24-22(16)26)20-9-10-21(29-20)30(27,28)25-19(12-15-7-8-15)18-6-4-5-11-23-18/h4-6,9-11,13,15,19,25H,3,7-8,12H2,1-2H3,(H,24,26).
What are the key properties of N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide?
N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide has a molecular weight of 443.59 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1-pyridin-2-ylethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 67492282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).