N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide

C14H13NO3S — CID 21391750

IUPACN-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide
SMILESCC(C(=O)NO)c1cccc(C(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-9(14(17)15-18)10-4-2-5-11(8-10)13(16)12-6-3-7-19-12/h2-9,18H,1H3,(H,15,17)
InChIKeyQSVNGAQRMDJANX-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.59
Rot. Bonds4

About N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide

N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide (PubChem CID 21391750) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide
PubChem CID21391750
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC NameN-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide
SMILESCC(C(=O)NO)c1cccc(C(=O)c2cccs2)c1
InChIInChI=1S/C14H13NO3S/c1-9(14(17)15-18)10-4-2-5-11(8-10)13(16)12-6-3-7-19-12/h2-9,18H,1H3,(H,15,17)
InChIKeyQSVNGAQRMDJANX-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
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

(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
2,4-bis[9-ethyl-6-(thiophene-2-carbonyl)carbazol-3-yl]pentan-3-one
CID 174482837
[4-(1,1-dihydroxypropan-2-yl)phenyl]-thiophen-2-ylmethanone
CID 70586978
(2R)-2-(3-benzoylphenyl)propanoic acid;2-(3-benzoylphenyl)propanoic acid
CID 159553712
(2S)-N-(4-acetamidophenyl)-2-(3-benzoylphenyl)propanamide
CID 1019404
CID 66964934
CID 66964934
CID 157056025
CID 157056025
(2S)-2-[3-chloro-4-(thiophene-2-carbonyl)phenyl]propanoic acid
CID 70637459
(3-chloro-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82052946
(3-amino-4-propan-2-yloxyphenyl)-thiophen-2-ylmethanone
CID 82152491
N-[1-[1-(3-bromophenyl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 43059234

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide?
The IUPAC name of N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide (CID 21391750) is N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide.
What is the SMILES notation for N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide?
The canonical SMILES for N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide is CC(C(=O)NO)c1cccc(C(=O)c2cccs2)c1.
What is the InChIKey of N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide?
The InChIKey is QSVNGAQRMDJANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-9(14(17)15-18)10-4-2-5-11(8-10)13(16)12-6-3-7-19-12/h2-9,18H,1H3,(H,15,17).
What are the key properties of N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide?
N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide has a molecular weight of 275.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide is sourced from PubChem (CID 21391750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).