N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide

C14H15NO4S2 — CID 10914350

IUPACN-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(Cc1ccccc1)(C(=O)NO)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-14(13(16)15-17,10-11-6-3-2-4-7-11)21(18,19)12-8-5-9-20-12/h2-9,17H,10H2,1H3,(H,15,16)
InChIKeyUQRFKNRXERPSMG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.03
Rot. Bonds5

About N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide

N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide (PubChem CID 10914350) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide
PubChem CID10914350
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide
SMILESCC(Cc1ccccc1)(C(=O)NO)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-14(13(16)15-17,10-11-6-3-2-4-7-11)21(18,19)12-8-5-9-20-12/h2-9,17H,10H2,1H3,(H,15,16)
InChIKeyUQRFKNRXERPSMG-UHFFFAOYSA-N
XLogP2.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.03
H-Bond Donors ≤ 52
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

N-hydroxy-2-(2-phenylthien-3-yl)acetamide
CID 3786
Thiophene-2-sulfonic acid [3-(3''-methylsulfanyl-biphenyl-2-yl)-propionyl]-amide
CID 21362867
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-thiophen-3-ylphenyl)butanamide
CID 90684272
3-Benzenesulfonyl-N-hydroxy-3-phenyl-propionamide
CID 10756964
N-Hydroxy-2-methyl-2-(octane-1-sulfonyl)-3-phenyl-propionamide
CID 11078779
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylsulfanylphenyl)butanamide
CID 56951133
Thiophene-2-sulfonic acid [3-(3''-methanesulfonyl-biphenyl-2-yl)-propionyl]-amide
CID 21362869
N-hydroxy-2-methyl-2-(methylsulfonyl)-4-[4-(phenylthio)phenyl]butanamide
CID 76445789
2-(benzenesulfonyl)-N-hydroxy-2-methyl-4-phenylbutanamide
CID 137646173
2-(benzenesulfonyl)-N-hydroxy-4-phenylbutanamide
CID 137658434
3-(2-fluorophenyl)-N-(5-methylthiophen-2-yl)sulfonylbutanamide
CID 53604802
(2S)-2-phenyl-N-thiophen-3-ylsulfonylpropanamide
CID 75520678

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide?
The IUPAC name of N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide (CID 10914350) is N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide.
What is the SMILES notation for N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide?
The canonical SMILES for N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide is CC(Cc1ccccc1)(C(=O)NO)S(=O)(=O)c1cccs1.
What is the InChIKey of N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide?
The InChIKey is UQRFKNRXERPSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-14(13(16)15-17,10-11-6-3-2-4-7-11)21(18,19)12-8-5-9-20-12/h2-9,17H,10H2,1H3,(H,15,16).
What are the key properties of N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide?
N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide has a molecular weight of 325.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-3-phenyl-2-thiophen-2-ylsulfonylpropanamide is sourced from PubChem (CID 10914350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).