N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide

C25H34N4O4S — CID 22723222

IUPACN-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)N(CC(C)C)CC(CSc1ccccc1)C(=O)NO
InChIInChI=1S/C25H34N4O4S/c1-18(2)15-29(16-20(23(30)28-33)17-34-21-12-8-5-9-13-21)25(32)27-22(24(31)26-3)14-19-10-6-4-7-11-19/h4-13,18,20,22,33H,14-17H2,1-3H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyFFFBMOIYQFMHOS-UHFFFAOYSA-N
MW486.64 g/mol
LogP2.93
Rot. Bonds12

About N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide

N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide (PubChem CID 22723222) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide
PubChem CID22723222
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide
SMILESCNC(=O)C(Cc1ccccc1)NC(=O)N(CC(C)C)CC(CSc1ccccc1)C(=O)NO
InChIInChI=1S/C25H34N4O4S/c1-18(2)15-29(16-20(23(30)28-33)17-34-21-12-8-5-9-13-21)25(32)27-22(24(31)26-3)14-19-10-6-4-7-11-19/h4-13,18,20,22,33H,14-17H2,1-3H3,(H,26,31)(H,27,32)(H,28,30)
InChIKeyFFFBMOIYQFMHOS-UHFFFAOYSA-N
XLogP2.93
TPSA110.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 52.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-3-(4-methylphenyl)-1-oxopropan-2-yl]-3-(2-methylpropyl)-2-(phenylsulfanylmethyl)butanediamide
CID 142263237
benzyl 2-[[2-methylpropyl-[[(2S)-1-oxo-1-phenylmethoxy-3-[4-(4-phenylphenyl)phenyl]propan-2-yl]carbamoyl]amino]methyl]-4-phenylbutanoate
CID 18393222
2-[[[(1S)-1-carboxy-2-(4-phenylphenyl)ethyl]carbamoyl-(2-methylpropyl)amino]methyl]-6-phenylhexanoic acid
CID 57220983
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2S)-2-[[[(1S)-1-carboxy-3-phenyl-2-(4-phenylphenyl)propyl]carbamoyl-(2-methylpropyl)amino]methyl]-4-phenylbutanoic acid
CID 67589440
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
N-hydroxy-N-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-phenylpentanamide
CID 22879618
(2R)-2-amino-3-methyl-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanamide
CID 11003677
ethyl 2-[[2-methylpropyl-[[(2S)-1-oxo-1-phenylmethoxy-3-(4-phenylphenyl)propan-2-yl]carbamoyl]amino]methyl]-4-phenylbutanoate
CID 18393256

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide (CID 22723222) is N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide is CNC(=O)C(Cc1ccccc1)NC(=O)N(CC(C)C)CC(CSc1ccccc1)C(=O)NO.
What is the InChIKey of N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide?
The InChIKey is FFFBMOIYQFMHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-18(2)15-29(16-20(23(30)28-33)17-34-21-12-8-5-9-13-21)25(32)27-22(24(31)26-3)14-19-10-6-4-7-11-19/h4-13,18,20,22,33H,14-17H2,1-3H3,(H,26,31)(H,27,32)(H,28,30).
What are the key properties of N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide?
N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide has a molecular weight of 486.64 g/mol, XLogP of 2.93, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl-(2-methylpropyl)amino]methyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 22723222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).