N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide

C10H13NO4S — CID 170829493

IUPACN-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cscc1C=O
InChIInChI=1S/C10H13NO4S/c1-6(13)11-2-9(14)10(15)8-5-16-4-7(8)3-12/h3-5,9-10,14-15H,2H2,1H3,(H,11,13)
InChIKeyWHKLYXUWUZPJHK-UHFFFAOYSA-N
MW243.28 g/mol
LogP0.09
Rot. Bonds5

About N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829493) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829493
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC NameN-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cscc1C=O
InChIInChI=1S/C10H13NO4S/c1-6(13)11-2-9(14)10(15)8-5-16-4-7(8)3-12/h3-5,9-10,14-15H,2H2,1H3,(H,11,13)
InChIKeyWHKLYXUWUZPJHK-UHFFFAOYSA-N
XLogP0.09
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829944
N-[3-(6-formyl-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830804
N-[3-(5-fluoro-4-formyl-2-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830162
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(5-formyl-2,3-dimethoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831222
4-(4-acetamido-1,2-dihydroxybutyl)thiophene-3-carboxylic acid
CID 171882637
N-[3-(3,5-difluoro-4-formylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830411
N-[3-(2-bromo-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831363
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
4-(3-acetamido-1,2-dihydroxypropyl)-1,3-thiazole-2-carboxylate
CID 170829819

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide (CID 170829493) is N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cscc1C=O.
What is the InChIKey of N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is WHKLYXUWUZPJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-6(13)11-2-9(14)10(15)8-5-16-4-7(8)3-12/h3-5,9-10,14-15H,2H2,1H3,(H,11,13).
What are the key properties of N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 243.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-formylthiophen-3-yl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).