N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide

C19H19N3O5S — CID 56561825

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)ccc21
InChIInChI=1S/C19H19N3O5S/c23-17-15-8-7-14(10-16(15)18(24)22-17)28(25,26)21-11-12-4-3-9-20-19(12)27-13-5-1-2-6-13/h3-4,7-10,13,21H,1-2,5-6,11H2,(H,22,23,24)
InChIKeyMVSRRXVKQBOLGO-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.77
Rot. Bonds6

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide (PubChem CID 56561825) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
PubChem CID56561825
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide
SMILESO=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)ccc21
InChIInChI=1S/C19H19N3O5S/c23-17-15-8-7-14(10-16(15)18(24)22-17)28(25,26)21-11-12-4-3-9-20-19(12)27-13-5-1-2-6-13/h3-4,7-10,13,21H,1-2,5-6,11H2,(H,22,23,24)
InChIKeyMVSRRXVKQBOLGO-UHFFFAOYSA-N
XLogP1.77
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-1,3-dioxoisoindole-5-sulfonamide
CID 56561894
6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55682093
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-(3,4-dichlorophenyl)methanesulfonamide
CID 56513402
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
N-[(2-cycloheptyloxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62297718
N-[(2-cyclobutyloxy-3-pyridinyl)methyl]propan-2-amine
CID 62287341
1,3-dioxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]isoindole-5-sulfonamide
CID 56586873
2-oxo-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 46406856
3-bromo-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]benzamide
CID 46434206
N-[2-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 55659721
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-[2-(3-methylphenoxy)ethyl]urea
CID 38282104
5-cyclohexyloxy-2-[(1,3-dioxoisoindol-5-yl)sulfonylamino]-4-fluorobenzoic acid
CID 166419781

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide (CID 56561825) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide is O=C1NC(=O)c2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)ccc21.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide?
The InChIKey is MVSRRXVKQBOLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c23-17-15-8-7-14(10-16(15)18(24)22-17)28(25,26)21-11-12-4-3-9-20-19(12)27-13-5-1-2-6-13/h3-4,7-10,13,21H,1-2,5-6,11H2,(H,22,23,24).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1,3-dioxoisoindole-5-sulfonamide is sourced from PubChem (CID 56561825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).