N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

C22H23FN2O3S — CID 43006861

IUPACN-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C22H23FN2O3S/c1-15(2)21(22(26)24-14-18-9-5-6-10-20(18)23)25-29(27,28)19-12-11-16-7-3-4-8-17(16)13-19/h3-13,15,21,25H,14H2,1-2H3,(H,24,26)
InChIKeyNTSWPOPOPUYCKW-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.60
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 43006861) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID43006861
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1F
InChIInChI=1S/C22H23FN2O3S/c1-15(2)21(22(26)24-14-18-9-5-6-10-20(18)23)25-29(27,28)19-12-11-16-7-3-4-8-17(16)13-19/h3-13,15,21,25H,14H2,1-2H3,(H,24,26)
InChIKeyNTSWPOPOPUYCKW-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 18160117
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
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
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
(2R)-N-ethoxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 30690800
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-(3-propan-2-ylphenyl)butanamide
CID 18226548
N-[[4-(aminomethyl)-6-oxo-1H-pyrimidin-2-yl]methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 166355271

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 43006861) is N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is NTSWPOPOPUYCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-15(2)21(22(26)24-14-18-9-5-6-10-20(18)23)25-29(27,28)19-12-11-16-7-3-4-8-17(16)13-19/h3-13,15,21,25H,14H2,1-2H3,(H,24,26).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 414.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 43006861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).