7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide

C28H35N3O4S — CID 19012982

IUPAC7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)NC(CCCCc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C28H35N3O4S/c1-21-14-17-31(18-15-21)28(32)27(9-4-3-7-24-8-5-6-16-29-24)30-36(33,34)26-13-11-22-10-12-25(35-2)19-23(22)20-26/h5-6,8,10-13,16,19-21,27,30H,3-4,7,9,14-15,17-18H2,1-2H3
InChIKeyBAUKEQKLVMXGKI-UHFFFAOYSA-N
MW509.67 g/mol
LogP4.56
Rot. Bonds10

About 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide

7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide (PubChem CID 19012982) has the molecular formula C28H35N3O4S and a molecular weight of 509.67 g/mol. Its IUPAC name is 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide.

Molecular Properties

Compound Name7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide
PubChem CID19012982
Molecular FormulaC28H35N3O4S
Molecular Weight509.67 g/mol
Exact Mass509.23
IUPAC Name7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide
SMILESCOc1ccc2ccc(S(=O)(=O)NC(CCCCc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C28H35N3O4S/c1-21-14-17-31(18-15-21)28(32)27(9-4-3-7-24-8-5-6-16-29-24)30-36(33,34)26-13-11-22-10-12-25(35-2)19-23(22)20-26/h5-6,8,10-13,16,19-21,27,30H,3-4,7,9,14-15,17-18H2,1-2H3
InChIKeyBAUKEQKLVMXGKI-UHFFFAOYSA-N
XLogP4.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.67
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide?
The IUPAC name of 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide (CID 19012982) is 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide.
What is the SMILES notation for 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide?
The canonical SMILES for 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide is COc1ccc2ccc(S(=O)(=O)NC(CCCCc3ccccn3)C(=O)N3CCC(C)CC3)cc2c1.
What is the InChIKey of 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide?
The InChIKey is BAUKEQKLVMXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O4S/c1-21-14-17-31(18-15-21)28(32)27(9-4-3-7-24-8-5-6-16-29-24)30-36(33,34)26-13-11-22-10-12-25(35-2)19-23(22)20-26/h5-6,8,10-13,16,19-21,27,30H,3-4,7,9,14-15,17-18H2,1-2H3.
What are the key properties of 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide?
7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide has a molecular weight of 509.67 g/mol, XLogP of 4.56, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[1-(4-methylpiperidin-1-yl)-1-oxo-6-pyridin-2-ylhexan-2-yl]naphthalene-2-sulfonamide is sourced from PubChem (CID 19012982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).