N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide

C20H19NO2S — CID 142230277

IUPACN-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide
SMILESCC(=O)C(Cc1ccccc1)NS(=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-15(22)19(14-16-8-3-2-4-9-16)21-24(23)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3
InChIKeyMUBHATFUBOBQGH-UHFFFAOYSA-N
MW337.44 g/mol
LogP3.65
Rot. Bonds6

About N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide

N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide (PubChem CID 142230277) has the molecular formula C20H19NO2S and a molecular weight of 337.44 g/mol. Its IUPAC name is N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide.

Molecular Properties

Compound NameN-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide
PubChem CID142230277
Molecular FormulaC20H19NO2S
Molecular Weight337.44 g/mol
Exact Mass337.11
IUPAC NameN-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide
SMILESCC(=O)C(Cc1ccccc1)NS(=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO2S/c1-15(22)19(14-16-8-3-2-4-9-16)21-24(23)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3
InChIKeyMUBHATFUBOBQGH-UHFFFAOYSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2R)-3-oxo-1-phenylbutan-2-yl]propane-2-sulfinamide
CID 102140135
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
CID 35399383
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
2-[(1-fluoro-2-oxopropyl)amino]-3-phenylpropanoic acid
CID 139761014
(3S)-4-phenyl-3-(2-phenylethylamino)butan-2-one
CID 69016992
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 5289617
tert-butyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
CID 58912430
tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
CID 173331106
(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide?
The IUPAC name of N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide (CID 142230277) is N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide.
What is the SMILES notation for N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide?
The canonical SMILES for N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide is CC(=O)C(Cc1ccccc1)NS(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide?
The InChIKey is MUBHATFUBOBQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S/c1-15(22)19(14-16-8-3-2-4-9-16)21-24(23)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3.
What are the key properties of N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide?
N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide has a molecular weight of 337.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1-phenylbutan-2-yl)naphthalene-1-sulfinamide is sourced from PubChem (CID 142230277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).