N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide

C26H30N2O3S — CID 66997380

IUPACN-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2ccccc2)NS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H30N2O3S/c1-20-16-18-28(19-17-20)26(29)24(15-14-21-8-3-2-4-9-21)27-32(30,31)25-13-7-11-22-10-5-6-12-23(22)25/h2-13,20,24,27H,14-19H2,1H3
InChIKeyIQJGNGAXWLATSM-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.38
Rot. Bonds7

About N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide

N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide (PubChem CID 66997380) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
PubChem CID66997380
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide
SMILESCC1CCN(C(=O)C(CCc2ccccc2)NS(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C26H30N2O3S/c1-20-16-18-28(19-17-20)26(29)24(15-14-21-8-3-2-4-9-21)27-32(30,31)25-13-7-11-22-10-5-6-12-23(22)25/h2-13,20,24,27H,14-19H2,1H3
InChIKeyIQJGNGAXWLATSM-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide (CID 66997380) is N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide is CC1CCN(C(=O)C(CCc2ccccc2)NS(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is IQJGNGAXWLATSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-20-16-18-28(19-17-20)26(29)24(15-14-21-8-3-2-4-9-21)27-32(30,31)25-13-7-11-22-10-5-6-12-23(22)25/h2-13,20,24,27H,14-19H2,1H3.
What are the key properties of N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide?
N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 450.60 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylpiperidin-1-yl)-1-oxo-4-phenylbutan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 66997380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).