5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide

C23H24N2O3S — CID 58418268

IUPAC5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(C(=O)NO)cs1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)20(19-13-18(14-29-19)22(27)25-28)24-21(26)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,20,28H,1-3H3,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyUZTPHPIMDBIICR-HXUWFJFHSA-N
MW408.52 g/mol
LogP5.05
Rot. Bonds5

About 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide

5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide (PubChem CID 58418268) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide
PubChem CID58418268
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(C(=O)NO)cs1
InChIInChI=1S/C23H24N2O3S/c1-23(2,3)20(19-13-18(14-29-19)22(27)25-28)24-21(26)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,20,28H,1-3H3,(H,24,26)(H,25,27)/t20-/m1/s1
InChIKeyUZTPHPIMDBIICR-HXUWFJFHSA-N
XLogP5.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

5-[(1S)-1-[[2-(dimethylamino)acetyl]amino]-2,2-dimethylpropyl]-N-hydroxythiophene-3-carboxamide
CID 58418278
5-bromo-N-(2,2-dimethyl-1-phenylpropyl)thiophene-3-carboxamide
CID 63523884
N-[(1R)-2,2-dimethyl-1-phenylpropyl]benzamide
CID 51940794
5-bromo-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]thiophene-3-carboxamide
CID 63524941
N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
N-hydroxy-2-methyl-5-[1-[(4-phenylbenzoyl)amino]ethyl]furan-3-carboxamide
CID 76780174
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]-2,2-dimethylpropyl]-1-methylindole-2-carboxamide
CID 58417381
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
CID 59956200
3-bromo-N-(2,2-dimethyl-1-phenylpropyl)benzamide
CID 63523704
4-[(2,2-dimethyl-1-pyrimidin-2-ylpropyl)carbamoyl]benzoic acid
CID 166270959
N-hydroxy-3-[(4-phenylbenzoyl)amino]benzamide
CID 142750431
N-hydroxy-2-[2-methyl-1-[(4-phenylbenzoyl)amino]propyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 76780212

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide?
The IUPAC name of 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide (CID 58418268) is 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide.
What is the SMILES notation for 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide?
The canonical SMILES for 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1cc(C(=O)NO)cs1.
What is the InChIKey of 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide?
The InChIKey is UZTPHPIMDBIICR-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-23(2,3)20(19-13-18(14-29-19)22(27)25-28)24-21(26)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,20,28H,1-3H3,(H,24,26)(H,25,27)/t20-/m1/s1.
What are the key properties of 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide?
5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-2,2-dimethyl-1-[(4-phenylbenzoyl)amino]propyl]-N-hydroxythiophene-3-carboxamide is sourced from PubChem (CID 58418268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).