N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide

C11H17NO4S — CID 170829666

IUPACN-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide
SMILESCOCc1cc(C(O)C(O)CNC(C)=O)cs1
InChIInChI=1S/C11H17NO4S/c1-7(13)12-4-10(14)11(15)8-3-9(5-16-2)17-6-8/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,12,13)
InChIKeyVDUJBYDQJJKFRT-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.42
Rot. Bonds6

About N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide

N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide (PubChem CID 170829666) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide
PubChem CID170829666
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC NameN-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide
SMILESCOCc1cc(C(O)C(O)CNC(C)=O)cs1
InChIInChI=1S/C11H17NO4S/c1-7(13)12-4-10(14)11(15)8-3-9(5-16-2)17-6-8/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,12,13)
InChIKeyVDUJBYDQJJKFRT-UHFFFAOYSA-N
XLogP0.42
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]-2,3-dihydroxypropyl]acetamide
CID 170830247
N-[2,3-dihydroxy-3-[5-(methoxymethyl)furan-2-yl]propyl]acetamide
CID 170831484
N-[3-(3-fluoro-5-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829656
N-[2,3-dihydroxy-3-(7-methoxy-1,3-benzodioxol-5-yl)propyl]acetamide
CID 170831324
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
N-[3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831371
N-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830795
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
N-(2,3-dihydroxy-3-thiophen-2-ylpropyl)acetamide
CID 170829439
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(4-cyano-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830549

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide (CID 170829666) is N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide is COCc1cc(C(O)C(O)CNC(C)=O)cs1.
What is the InChIKey of N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide?
The InChIKey is VDUJBYDQJJKFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-7(13)12-4-10(14)11(15)8-3-9(5-16-2)17-6-8/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,12,13).
What are the key properties of N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide?
N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide has a molecular weight of 259.33 g/mol, XLogP of 0.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[5-(methoxymethyl)thiophen-3-yl]propyl]acetamide is sourced from PubChem (CID 170829666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).