(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide

C21H30N4O5S — CID 10527557

IUPAC(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCCCN(C)C)C(=O)NO)cc1
InChIInChI=1S/C21H30N4O5S/c1-24(2)14-5-4-8-20(21(26)23-27)25(16-17-7-6-13-22-15-17)31(28,29)19-11-9-18(30-3)10-12-19/h6-7,9-13,15,20,27H,4-5,8,14,16H2,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyZCIXKXJJBYSJKM-HXUWFJFHSA-N
MW450.56 g/mol
LogP1.89
Rot. Bonds12

About (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide

(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide (PubChem CID 10527557) has the molecular formula C21H30N4O5S and a molecular weight of 450.56 g/mol. Its IUPAC name is (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide.

Molecular Properties

Compound Name(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide
PubChem CID10527557
Molecular FormulaC21H30N4O5S
Molecular Weight450.56 g/mol
Exact Mass450.19
IUPAC Name(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCCCN(C)C)C(=O)NO)cc1
InChIInChI=1S/C21H30N4O5S/c1-24(2)14-5-4-8-20(21(26)23-27)25(16-17-7-6-13-22-15-17)31(28,29)19-11-9-18(30-3)10-12-19/h6-7,9-13,15,20,27H,4-5,8,14,16H2,1-3H3,(H,23,26)/t20-/m1/s1
InChIKeyZCIXKXJJBYSJKM-HXUWFJFHSA-N
XLogP1.89
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide?
The IUPAC name of (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide (CID 10527557) is (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide.
What is the SMILES notation for (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide?
The canonical SMILES for (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide is COc1ccc(S(=O)(=O)N(Cc2cccnc2)[C@H](CCCCN(C)C)C(=O)NO)cc1.
What is the InChIKey of (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide?
The InChIKey is ZCIXKXJJBYSJKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H30N4O5S/c1-24(2)14-5-4-8-20(21(26)23-27)25(16-17-7-6-13-22-15-17)31(28,29)19-11-9-18(30-3)10-12-19/h6-7,9-13,15,20,27H,4-5,8,14,16H2,1-3H3,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide?
(2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide has a molecular weight of 450.56 g/mol, XLogP of 1.89, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(dimethylamino)-N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]hexanamide is sourced from PubChem (CID 10527557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).