(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide

C21H29N3O5S — CID 57391225

IUPAC(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H29N3O5S/c1-16(2)20(21(25)22-26)24(10-9-23-11-13-29-14-12-23)30(27,28)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16,20,26H,9-14H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyWHSJFJHSWYAKDM-HXUWFJFHSA-N
MW435.55 g/mol
LogP1.69
Rot. Bonds8

About (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide

(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide (PubChem CID 57391225) has the molecular formula C21H29N3O5S and a molecular weight of 435.55 g/mol. Its IUPAC name is (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide
PubChem CID57391225
Molecular FormulaC21H29N3O5S
Molecular Weight435.55 g/mol
Exact Mass435.18
IUPAC Name(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide
SMILESCC(C)[C@H](C(=O)NO)N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H29N3O5S/c1-16(2)20(21(25)22-26)24(10-9-23-11-13-29-14-12-23)30(27,28)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16,20,26H,9-14H2,1-2H3,(H,22,25)/t20-/m1/s1
InChIKeyWHSJFJHSWYAKDM-HXUWFJFHSA-N
XLogP1.69
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-Hydroxy-N^2^-(3-Methylbutyl)-N^2^-(Naphthalen-2-Ylsulfonyl)-D-Valinamide
CID 53389286
(2R)-N-hydroxy-4-methyl-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]pentanamide
CID 44596287
(2R)-2-[(6-ethylnaphthalen-2-yl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3-methylbutanamide
CID 57398195
6-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 16124699
N-(2-naphthalenesulfonyl)-L-valyl-L-leucinal
CID 10883981
N-hydroxy-4-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 11848948
N-hydroxy-2-[2-methylpropyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 44608129
(2R)-N-hydroxy-3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 44608938
(2R)-N-hydroxy-2-[3-methylbutyl(naphthalen-2-ylsulfonyl)amino]-4-phenylbutanamide
CID 44608939
(2R)-2-[benzyl(naphthalen-2-ylsulfonyl)amino]-N-hydroxy-3-methylbutanamide
CID 44608942
(2R)-N-hydroxy-3-methyl-2-[naphthalen-2-ylsulfonyl(2-phenylethyl)amino]butanamide
CID 44609098
(2R)-N-hydroxy-3-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 44609100

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The IUPAC name of (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide (CID 57391225) is (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide.
What is the SMILES notation for (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The canonical SMILES for (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide is CC(C)[C@H](C(=O)NO)N(CCN1CCOCC1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide?
The InChIKey is WHSJFJHSWYAKDM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29N3O5S/c1-16(2)20(21(25)22-26)24(10-9-23-11-13-29-14-12-23)30(27,28)19-8-7-17-5-3-4-6-18(17)15-19/h3-8,15-16,20,26H,9-14H2,1-2H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide?
(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide has a molecular weight of 435.55 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide is sourced from PubChem (CID 57391225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).