6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide

C22H22N2O4S — CID 100540031

IUPAC6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1
InChIInChI=1S/C22H22N2O4S/c1-15-12-18(7-10-21(15)24-11-3-4-22(24)25)23-29(26,27)20-9-6-16-13-19(28-2)8-5-17(16)14-20/h5-10,12-14,23H,3-4,11H2,1-2H3
InChIKeyINUHYOLXTFCENM-UHFFFAOYSA-N
MW410.50 g/mol
LogP4.08
Rot. Bonds5

About 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide

6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 100540031) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID100540031
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1
InChIInChI=1S/C22H22N2O4S/c1-15-12-18(7-10-21(15)24-11-3-4-22(24)25)23-29(26,27)20-9-6-16-13-19(28-2)8-5-17(16)14-20/h5-10,12-14,23H,3-4,11H2,1-2H3
InChIKeyINUHYOLXTFCENM-UHFFFAOYSA-N
XLogP4.08
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 100540031) is 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide is COc1ccc2cc(S(=O)(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is INUHYOLXTFCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-15-12-18(7-10-21(15)24-11-3-4-22(24)25)23-29(26,27)20-9-6-16-13-19(28-2)8-5-17(16)14-20/h5-10,12-14,23H,3-4,11H2,1-2H3.
What are the key properties of 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 410.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 100540031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).