N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

C20H22N2O4S — CID 18160117

IUPACN-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1
InChIInChI=1S/C20H22N2O4S/c1-14(2)19(20(23)21-13-17-8-5-11-26-17)22-27(24,25)18-10-9-15-6-3-4-7-16(15)12-18/h3-12,14,19,22H,13H2,1-2H3,(H,21,23)
InChIKeyNQQIKTINUVJURW-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.05
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide

N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (PubChem CID 18160117) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
PubChem CID18160117
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1
InChIInChI=1S/C20H22N2O4S/c1-14(2)19(20(23)21-13-17-8-5-11-26-17)22-27(24,25)18-10-9-15-6-3-4-7-16(15)12-18/h3-12,14,19,22H,13H2,1-2H3,(H,21,23)
InChIKeyNQQIKTINUVJURW-UHFFFAOYSA-N
XLogP3.05
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-propylbutanamide
CID 18160933
N-[(2-fluorophenyl)methyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43006861
(2S)-3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 51618284
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-phenylbutanamide
CID 24639028
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanamide
CID 42703821
N-[2-(diethylamino)ethyl]-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 43020352
3-methyl-2-(naphthalen-2-ylsulfonylamino)-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 24642191
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(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

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide (CID 18160117) is N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
The InChIKey is NQQIKTINUVJURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-14(2)19(20(23)21-13-17-8-5-11-26-17)22-27(24,25)18-10-9-15-6-3-4-7-16(15)12-18/h3-12,14,19,22H,13H2,1-2H3,(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide?
N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide has a molecular weight of 386.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 18160117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).