2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide

C14H21NO2S — CID 66348561

IUPAC2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1cccc(CO)c1
InChIInChI=1S/C14H21NO2S/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyWQDJSQUJHQFDTD-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.43
Rot. Bonds7

About 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide

2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide (PubChem CID 66348561) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
PubChem CID66348561
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
SMILESCC(C)CCNC(=O)CSc1cccc(CO)c1
InChIInChI=1S/C14H21NO2S/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17)
InChIKeyWQDJSQUJHQFDTD-UHFFFAOYSA-N
XLogP2.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylacetamide
CID 66348468
2-[3-(1-aminoethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide
CID 64662539
2-[3-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 54957411
2-(4-chlorophenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 112781367
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-ethyl-3-[3-(hydroxymethyl)phenyl]sulfanylpropanamide
CID 66347205
N-cyclohexyl-2-[3-(hydroxymethyl)phenyl]sulfanylacetamide
CID 66348936
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-pentan-2-yl-2-[3-(propylaminomethyl)phenyl]sulfanylacetamide
CID 66347676
2-[3-(aminomethyl)phenyl]sulfanyl-N-pentan-2-ylacetamide
CID 66353279
2-[3-(methylaminomethyl)phenyl]sulfanyl-N-(3-methylbutyl)propanamide
CID 66347435
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-methylbutyl)acetamide
CID 79142633

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide (CID 66348561) is 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide is CC(C)CCNC(=O)CSc1cccc(CO)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
The InChIKey is WQDJSQUJHQFDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-11(2)6-7-15-14(17)10-18-13-5-3-4-12(8-13)9-16/h3-5,8,11,16H,6-7,9-10H2,1-2H3,(H,15,17).
What are the key properties of 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide?
2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide has a molecular weight of 267.39 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)phenyl]sulfanyl-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 66348561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).