(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

C19H26N4O4S — CID 23657419

IUPAC(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N4O4S/c1-14(2)18(19(24)21-25)23(13-15-6-5-11-20-12-15)28(26,27)17-9-7-16(8-10-17)22(3)4/h5-12,14,18,25H,13H2,1-4H3,(H,21,24)/t18-/m1/s1
InChIKeyBXSPGECKGKAUCR-GOSISDBHSA-N
MW406.51 g/mol
LogP1.87
Rot. Bonds8

About (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide

(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (PubChem CID 23657419) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
PubChem CID23657419
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26N4O4S/c1-14(2)18(19(24)21-25)23(13-15-6-5-11-20-12-15)28(26,27)17-9-7-16(8-10-17)22(3)4/h5-12,14,18,25H,13H2,1-4H3,(H,21,24)/t18-/m1/s1
InChIKeyBXSPGECKGKAUCR-GOSISDBHSA-N
XLogP1.87
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide (CID 23657419) is (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is CC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
The InChIKey is BXSPGECKGKAUCR-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-14(2)18(19(24)21-25)23(13-15-6-5-11-20-12-15)28(26,27)17-9-7-16(8-10-17)22(3)4/h5-12,14,18,25H,13H2,1-4H3,(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide?
(2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide has a molecular weight of 406.51 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(dimethylamino)phenyl]sulfonyl-(pyridin-3-ylmethyl)amino]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 23657419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).