N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide

C20H20N2O5S — CID 72945225

IUPACN-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NO)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O5S/c1-14(20(23)21-24)22(17-8-5-9-18(13-17)27-2)28(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-14,24H,1-2H3,(H,21,23)
InChIKeyPXHYFYPLUPNBLK-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.94
Rot. Bonds6

About N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide

N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide (PubChem CID 72945225) has the molecular formula C20H20N2O5S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide
PubChem CID72945225
Molecular FormulaC20H20N2O5S
Molecular Weight400.46 g/mol
Exact Mass400.11
IUPAC NameN-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide
SMILESCOc1cccc(N(C(C)C(=O)NO)S(=O)(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H20N2O5S/c1-14(20(23)21-24)22(17-8-5-9-18(13-17)27-2)28(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-14,24H,1-2H3,(H,21,23)
InChIKeyPXHYFYPLUPNBLK-UHFFFAOYSA-N
XLogP2.94
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945615
(2S)-2-(4-chloro-N-naphthalen-2-ylsulfonylanilino)-N-hydroxypropanamide
CID 72945426
2-(3-methoxy-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218876
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-(2-naphthalen-2-yloxyethyl)propanamide
CID 125079417
N-benzhydryl-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 132671548
(2R)-2-(3-methoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 125083726
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
2-[(4-bromophenyl)sulfonyl-naphthalen-2-ylamino]propanoyl chloride
CID 50893823
2-(3-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenoxy)propan-2-yl]propanamide
CID 132670775
(2R)-2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxypropanamide
CID 10594938
(2S)-N-cyclopropyl-2-(4-methoxy-N-(3-methylphenyl)sulfonylanilino)propanamide
CID 8001550
(2S)-2-[(3-methoxyphenyl)methyl-[2-[methyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]-N-propylpropanamide
CID 100522073

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide?
The IUPAC name of N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide (CID 72945225) is N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide.
What is the SMILES notation for N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide?
The canonical SMILES for N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide is COc1cccc(N(C(C)C(=O)NO)S(=O)(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide?
The InChIKey is PXHYFYPLUPNBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S/c1-14(20(23)21-24)22(17-8-5-9-18(13-17)27-2)28(25,26)19-11-10-15-6-3-4-7-16(15)12-19/h3-14,24H,1-2H3,(H,21,23).
What are the key properties of N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide?
N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide has a molecular weight of 400.46 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-methoxy-N-naphthalen-2-ylsulfonylanilino)propanamide is sourced from PubChem (CID 72945225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).