(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide

C18H22N2O4S — CID 58256163

IUPAC(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
SMILESC=CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O4S/c1-4-11-20(17(13(2)3)18(21)19-22)25(23,24)16-10-9-14-7-5-6-8-15(14)12-16/h4-10,12-13,17,22H,1,11H2,2-3H3,(H,19,21)/t17-/m1/s1
InChIKeyCBHFCDALPWCCFM-QGZVFWFLSA-N
MW362.45 g/mol
LogP2.55
Rot. Bonds7

About (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide (PubChem CID 58256163) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
PubChem CID58256163
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide
SMILESC=CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H22N2O4S/c1-4-11-20(17(13(2)3)18(21)19-22)25(23,24)16-10-9-14-7-5-6-8-15(14)12-16/h4-10,12-13,17,22H,1,11H2,2-3H3,(H,19,21)/t17-/m1/s1
InChIKeyCBHFCDALPWCCFM-QGZVFWFLSA-N
XLogP2.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[2-(4-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256217
(2R)-2-[2-(2-chlorophenoxy)ethyl-naphthalen-2-ylsulfonylamino]-N-hydroxy-3-methylbutanamide
CID 58256174
(2R)-N-hydroxy-3-methyl-2-[3-methylbutyl-(6-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 87289862
N-hydroxy-3-methyl-2-[3-methylbutyl-(7-methylnaphthalen-2-yl)sulfonylamino]butanamide
CID 76747684
(2R)-N-hydroxy-2-[(7-hydroxynaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-3-methylbutanamide
CID 57394732
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
CID 44608939
2-[[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-phenoxyphenyl)sulfonylamino]acetic acid
CID 25180867
(2R)-2-[(7-ethoxynaphthalen-2-yl)sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
CID 58256181
(2R)-2-[2-aminoethyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-methylbutanamide
CID 144510795
3-[[1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 22612442
methyl 2-[[(4-methylphenyl)sulfonyl-prop-2-enylamino]-naphthalen-2-ylmethyl]prop-2-enoate
CID 101345783
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide (CID 58256163) is (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide is C=CCN([C@@H](C(=O)NO)C(C)C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide?
The InChIKey is CBHFCDALPWCCFM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-4-11-20(17(13(2)3)18(21)19-22)25(23,24)16-10-9-14-7-5-6-8-15(14)12-16/h4-10,12-13,17,22H,1,11H2,2-3H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide has a molecular weight of 362.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(prop-2-enyl)amino]butanamide is sourced from PubChem (CID 58256163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).