(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide

C22H29N3O2S — CID 169154903

IUPAC(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCc1nc2c([C@@H](C)N[S@](=O)C(C)(C)C)cc(C)cc2c2cc(OC)ncc12
InChIInChI=1S/C22H29N3O2S/c1-8-19-18-12-23-20(27-7)11-16(18)17-10-13(2)9-15(21(17)24-19)14(3)25-28(26)22(4,5)6/h9-12,14,25H,8H2,1-7H3/t14-,28-/m1/s1
InChIKeyDCZYGLQEMBPEMV-GMYLUUGSSA-N
MW399.56 g/mol
LogP4.78
Rot. Bonds5

About (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide (PubChem CID 169154903) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide
PubChem CID169154903
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide
SMILESCCc1nc2c([C@@H](C)N[S@](=O)C(C)(C)C)cc(C)cc2c2cc(OC)ncc12
InChIInChI=1S/C22H29N3O2S/c1-8-19-18-12-23-20(27-7)11-16(18)17-10-13(2)9-15(21(17)24-19)14(3)25-28(26)22(4,5)6/h9-12,14,25H,8H2,1-7H3/t14-,28-/m1/s1
InChIKeyDCZYGLQEMBPEMV-GMYLUUGSSA-N
XLogP4.78
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide (CID 169154903) is (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide is CCc1nc2c([C@@H](C)N[S@](=O)C(C)(C)C)cc(C)cc2c2cc(OC)ncc12.
What is the InChIKey of (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DCZYGLQEMBPEMV-GMYLUUGSSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-8-19-18-12-23-20(27-7)11-16(18)17-10-13(2)9-15(21(17)24-19)14(3)25-28(26)22(4,5)6/h9-12,14,25H,8H2,1-7H3/t14-,28-/m1/s1.
What are the key properties of (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 399.56 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-(5-ethyl-2-methoxy-9-methylbenzo[c][2,7]naphthyridin-7-yl)ethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 169154903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).