N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide

C24H31N3O7S — CID 22893212

IUPACN-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide
SMILESCC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(NC(=O)CN1CCOCC1)C(=O)NO
InChIInChI=1S/C24H31N3O7S/c1-24(2,22(23(29)26-30)25-21(28)16-27-12-14-33-15-13-27)17-35(31,32)20-10-8-19(9-11-20)34-18-6-4-3-5-7-18/h3-11,22,30H,12-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKCNFHQYHEXSYEY-UHFFFAOYSA-N
MW505.59 g/mol
LogP1.60
Rot. Bonds10

About N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide

N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide (PubChem CID 22893212) has the molecular formula C24H31N3O7S and a molecular weight of 505.59 g/mol. Its IUPAC name is N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide
PubChem CID22893212
Molecular FormulaC24H31N3O7S
Molecular Weight505.59 g/mol
Exact Mass505.19
IUPAC NameN-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide
SMILESCC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(NC(=O)CN1CCOCC1)C(=O)NO
InChIInChI=1S/C24H31N3O7S/c1-24(2,22(23(29)26-30)25-21(28)16-27-12-14-33-15-13-27)17-35(31,32)20-10-8-19(9-11-20)34-18-6-4-3-5-7-18/h3-11,22,30H,12-17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyKCNFHQYHEXSYEY-UHFFFAOYSA-N
XLogP1.60
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide?
The IUPAC name of N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide (CID 22893212) is N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide.
What is the SMILES notation for N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide?
The canonical SMILES for N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide is CC(C)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(NC(=O)CN1CCOCC1)C(=O)NO.
What is the InChIKey of N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide?
The InChIKey is KCNFHQYHEXSYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O7S/c1-24(2,22(23(29)26-30)25-21(28)16-27-12-14-33-15-13-27)17-35(31,32)20-10-8-19(9-11-20)34-18-6-4-3-5-7-18/h3-11,22,30H,12-17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide?
N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide has a molecular weight of 505.59 g/mol, XLogP of 1.60, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3,3-dimethyl-2-[(2-morpholin-4-ylacetyl)amino]-4-(4-phenoxyphenyl)sulfonylbutanamide is sourced from PubChem (CID 22893212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).