2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide

C20H24N2O5S — CID 11418272

IUPAC2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
SMILESCC(C)CC(CN(O)C=O)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(2)12-18(13-22(25)14-23)20(24)21-28(26,27)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,14-15,18,25H,12-13H2,1-2H3,(H,21,24)
InChIKeyRUVCDUMKTXSTBT-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.67
Rot. Bonds9

About 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide

2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide (PubChem CID 11418272) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide.

Molecular Properties

Compound Name2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
PubChem CID11418272
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
SMILESCC(C)CC(CN(O)C=O)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H24N2O5S/c1-15(2)12-18(13-22(25)14-23)20(24)21-28(26,27)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,14-15,18,25H,12-13H2,1-2H3,(H,21,24)
InChIKeyRUVCDUMKTXSTBT-UHFFFAOYSA-N
XLogP2.67
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide
CID 87233721
(2S)-2-ethoxy-N-(4-phenylphenyl)sulfonylpropanamide
CID 96524563
N-(benzenesulfonyl)-4-methylpentanamide
CID 47108729
(2S)-N-(benzenesulfonyl)-4,4-difluoro-2-methylbutanamide
CID 149392141
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 18914695
3-amino-N-hydroxy-2-[(4-phenylphenyl)sulfonylamino]propanamide
CID 58835331
(2R)-N-benzyl-4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 9336999
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
(4S)-5-(benzenesulfonamido)-4-[formyl-[(2-methylpropan-2-yl)oxy]amino]-5-oxopentanoic acid
CID 89346673
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885

Frequently Asked Questions

What is the IUPAC name of 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The IUPAC name of 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide (CID 11418272) is 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide.
What is the SMILES notation for 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The canonical SMILES for 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide is CC(C)CC(CN(O)C=O)C(=O)NS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
The InChIKey is RUVCDUMKTXSTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-15(2)12-18(13-22(25)14-23)20(24)21-28(26,27)19-10-8-17(9-11-19)16-6-4-3-5-7-16/h3-11,14-15,18,25H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide?
2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide has a molecular weight of 404.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[formyl(hydroxy)amino]methyl]-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide is sourced from PubChem (CID 11418272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).