(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen

C23H45N5O5S — CID 143559390

IUPAC(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen
SMILESCCNC(=O)Nc1cccc(S(=O)(=O)N(CCCN2CCCCC2)[C@@H](C(=O)NO)C(C)(C)C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H39N5O5S.3H2/c1-5-24-22(30)25-18-11-9-12-19(17-18)34(32,33)28(20(21(29)26-31)23(2,3)4)16-10-15-27-13-7-6-8-14-27;;;/h9,11-12,17,20,31H,5-8,10,13-16H2,1-4H3,(H,26,29)(H2,24,25,30);3*1H/t20-;;;/m0.../s1
InChIKeyFGWADACGXJWSGG-MLQCRBJCSA-N
MW503.71 g/mol
LogP3.35
Rot. Bonds10

About (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen

(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen (PubChem CID 143559390) has the molecular formula C23H45N5O5S and a molecular weight of 503.71 g/mol. Its IUPAC name is (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen.

Molecular Properties

Compound Name(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen
PubChem CID143559390
Molecular FormulaC23H45N5O5S
Molecular Weight503.71 g/mol
Exact Mass503.31
IUPAC Name(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen
SMILESCCNC(=O)Nc1cccc(S(=O)(=O)N(CCCN2CCCCC2)[C@@H](C(=O)NO)C(C)(C)C)c1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H39N5O5S.3H2/c1-5-24-22(30)25-18-11-9-12-19(17-18)34(32,33)28(20(21(29)26-31)23(2,3)4)16-10-15-27-13-7-6-8-14-27;;;/h9,11-12,17,20,31H,5-8,10,13-16H2,1-4H3,(H,26,29)(H2,24,25,30);3*1H/t20-;;;/m0.../s1
InChIKeyFGWADACGXJWSGG-MLQCRBJCSA-N
XLogP3.35
TPSA131.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.71
LogP ≤ 53.35
H-Bond Donors ≤ 54
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

(2R)-2-[(3-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-hydroxy-3,3-dimethylbutanamide
CID 24759242
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
1-butyl-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 134062778
3-(dimethylsulfamoyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 43020134
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
N-[4-[methyl(2-piperidin-1-ylethyl)sulfamoyl]phenyl]acetamide
CID 110753478
N-[3-[3-fluoro-4-(4-piperidin-1-ylbutylcarbamoylamino)phenyl]phenyl]acetamide
CID 143531645
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 74241065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen?
The IUPAC name of (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen (CID 143559390) is (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen.
What is the SMILES notation for (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen?
The canonical SMILES for (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen is CCNC(=O)Nc1cccc(S(=O)(=O)N(CCCN2CCCCC2)[C@@H](C(=O)NO)C(C)(C)C)c1.[H][H].[H][H].[H][H].
What is the InChIKey of (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen?
The InChIKey is FGWADACGXJWSGG-MLQCRBJCSA-N. The full InChI is InChI=1S/C23H39N5O5S.3H2/c1-5-24-22(30)25-18-11-9-12-19(17-18)34(32,33)28(20(21(29)26-31)23(2,3)4)16-10-15-27-13-7-6-8-14-27;;;/h9,11-12,17,20,31H,5-8,10,13-16H2,1-4H3,(H,26,29)(H2,24,25,30);3*1H/t20-;;;/m0.../s1.
What are the key properties of (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen?
(2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen has a molecular weight of 503.71 g/mol, XLogP of 3.35, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(ethylcarbamoylamino)phenyl]sulfonyl-(3-piperidin-1-ylpropyl)amino]-N-hydroxy-3,3-dimethylbutanamide;molecular hydrogen is sourced from PubChem (CID 143559390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).