N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide

C22H22N2O5S — CID 166211681

IUPACN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide
SMILESCOc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(CC3CC(=O)NC3=O)cc1)CC2
InChIInChI=1S/C22H22N2O5S/c1-29-19-8-4-15-5-9-20(12-16(15)11-19)30(27,28)24-18-6-2-14(3-7-18)10-17-13-21(25)23-22(17)26/h2-4,6-8,11-12,17,24H,5,9-10,13H2,1H3,(H,23,25,26)
InChIKeyCVIZYAOONLVREF-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.63
Rot. Bonds6

About N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide

N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide (PubChem CID 166211681) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide
PubChem CID166211681
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide
SMILESCOc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(CC3CC(=O)NC3=O)cc1)CC2
InChIInChI=1S/C22H22N2O5S/c1-29-19-8-4-15-5-9-20(12-16(15)11-19)30(27,28)24-18-6-2-14(3-7-18)10-17-13-21(25)23-22(17)26/h2-4,6-8,11-12,17,24H,5,9-10,13H2,1H3,(H,23,25,26)
InChIKeyCVIZYAOONLVREF-UHFFFAOYSA-N
XLogP2.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide (CID 166211681) is N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide is COc1ccc2c(c1)C=C(S(=O)(=O)Nc1ccc(CC3CC(=O)NC3=O)cc1)CC2.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide?
The InChIKey is CVIZYAOONLVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-29-19-8-4-15-5-9-20(12-16(15)11-19)30(27,28)24-18-6-2-14(3-7-18)10-17-13-21(25)23-22(17)26/h2-4,6-8,11-12,17,24H,5,9-10,13H2,1H3,(H,23,25,26).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide?
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide has a molecular weight of 426.49 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-7-methoxy-3,4-dihydronaphthalene-2-sulfonamide is sourced from PubChem (CID 166211681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).