N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide

C20H19NO3S — CID 35399383

IUPACN-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
SMILESCC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3S/c1-15(22)19(14-16-8-3-2-4-9-16)21-25(23,24)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3/t19-/m0/s1
InChIKeyKZDJTXJLJJMYJJ-IBGZPJMESA-N
MW353.44 g/mol
LogP3.32
Rot. Bonds6

About N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide

N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide (PubChem CID 35399383) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
PubChem CID35399383
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide
SMILESCC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C20H19NO3S/c1-15(22)19(14-16-8-3-2-4-9-16)21-25(23,24)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3/t19-/m0/s1
InChIKeyKZDJTXJLJJMYJJ-IBGZPJMESA-N
XLogP3.32
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 22216410
2-phenylethyl (2S)-2-(naphthalen-1-ylsulfonylamino)-3-phenylpropanoate
CID 101179363
methyl 3-(4-chlorophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoate
CID 3876135
3-(3-cyanophenyl)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 10691192
2-methyl-3-(naphthalen-1-ylsulfonylamino)butanoic acid
CID 114795460
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
N-(1-methoxy-3-phenylpropan-2-yl)naphthalene-1-sulfonamide
CID 3701615
4-amino-2-(naphthalen-1-ylsulfonylamino)-4-oxobutanoic acid
CID 22476015
methyl 2-(naphthalen-1-ylsulfonylamino)-2-phenylacetate
CID 3820681
2-(naphthalen-1-ylsulfonylamino)octanoic acid
CID 102208300
(2R)-2-amino-3-[[(2R)-2-carboxy-2-(naphthalen-1-ylsulfonylamino)ethyl]disulfanyl]propanoic acid
CID 151966801
(2S)-2-amino-3-phenylpropanoic acid;naphthalene-1-sulfonamide
CID 122516263

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The IUPAC name of N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide (CID 35399383) is N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide is CC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide?
The InChIKey is KZDJTXJLJJMYJJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15(22)19(14-16-8-3-2-4-9-16)21-25(23,24)20-13-7-11-17-10-5-6-12-18(17)20/h2-13,19,21H,14H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide?
N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-oxo-1-phenylbutan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 35399383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).