2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide

C14H19NO2S — CID 113235632

IUPAC2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1CCSCC1
InChIInChI=1S/C14H19NO2S/c16-13-3-1-2-12(8-13)9-14(17)15-10-11-4-6-18-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,15,17)
InChIKeyLDRVUJXLASSPNU-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide

2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide (PubChem CID 113235632) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
PubChem CID113235632
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
SMILESO=C(Cc1cccc(O)c1)NCC1CCSCC1
InChIInChI=1S/C14H19NO2S/c16-13-3-1-2-12(8-13)9-14(17)15-10-11-4-6-18-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,15,17)
InChIKeyLDRVUJXLASSPNU-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 114146228
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 115626238
2-(3-hydroxyphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 61400257
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
N-(2-chloro-2-cyclopropylethyl)-2-(3-hydroxyphenyl)acetamide
CID 114305087
N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
2-(4-cyanophenyl)-N-(thian-4-ylmethyl)acetamide
CID 115625108
2-cyclopentyl-N-[2-[[2-(3-hydroxyphenyl)acetyl]amino]ethyl]acetamide
CID 98231617
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
2-(3-hydroxyphenyl)-N-(thian-3-yl)acetamide
CID 115675030
2-(3-aminophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 63725713
N-[(1-cyclopropylcyclopropyl)methyl]-2-(3-hydroxyphenyl)acetamide
CID 103841045

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide (CID 113235632) is 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide is O=C(Cc1cccc(O)c1)NCC1CCSCC1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
The InChIKey is LDRVUJXLASSPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c16-13-3-1-2-12(8-13)9-14(17)15-10-11-4-6-18-7-5-11/h1-3,8,11,16H,4-7,9-10H2,(H,15,17).
What are the key properties of 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide?
2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide has a molecular weight of 265.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide is sourced from PubChem (CID 113235632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).