3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide

C20H27N3O4S — CID 24642191

IUPAC3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C20H27N3O4S/c1-4-11-21-18(24)13-22-20(25)19(14(2)3)23-28(26,27)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14,19,23H,4,11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyBSEHBAQZGPYVCY-UHFFFAOYSA-N
MW405.52 g/mol
LogP1.79
Rot. Bonds9

About 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide (PubChem CID 24642191) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
PubChem CID24642191
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC Name3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
SMILESCCCNC(=O)CNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C20H27N3O4S/c1-4-11-21-18(24)13-22-20(25)19(14(2)3)23-28(26,27)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14,19,23H,4,11,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyBSEHBAQZGPYVCY-UHFFFAOYSA-N
XLogP1.79
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
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
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2R)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 41312555
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylmethoxybutanamide
CID 18164733

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The IUPAC name of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide (CID 24642191) is 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide.
What is the SMILES notation for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The canonical SMILES for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide is CCCNC(=O)CNC(=O)C(NS(=O)(=O)c1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
The InChIKey is BSEHBAQZGPYVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-4-11-21-18(24)13-22-20(25)19(14(2)3)23-28(26,27)17-10-9-15-7-5-6-8-16(15)12-17/h5-10,12,14,19,23H,4,11,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide?
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide has a molecular weight of 405.52 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide is sourced from PubChem (CID 24642191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).