(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

C17H22N2O4S — CID 30690800

IUPAC(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCCONC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H22N2O4S/c1-4-23-18-17(20)16(12(2)3)19-24(21,22)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyWUEGHIJYVOITNP-MRXNPFEDSA-N
MW350.44 g/mol
LogP2.21
Rot. Bonds7

About (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 30690800) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID30690800
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCCONC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C17H22N2O4S/c1-4-23-18-17(20)16(12(2)3)19-24(21,22)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)/t16-/m1/s1
InChIKeyWUEGHIJYVOITNP-MRXNPFEDSA-N
XLogP2.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
(2S)-N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 29369119
ethyl 3-methyl-2-(naphthalen-2-ylsulfonylamino)pent-4-enoate
CID 91322492
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
(2S)-N-(1-ethylpiperidin-4-yl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 36815103

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 30690800) is (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is CCONC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is WUEGHIJYVOITNP-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-23-18-17(20)16(12(2)3)19-24(21,22)15-10-9-13-7-5-6-8-14(13)11-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 350.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 30690800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).