N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide

C13H18N2O3S — CID 104590290

IUPACN-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-3-7-14-13(18)15-12(17)9-19-11-6-4-5-10(16)8-11/h4-6,8,16H,2-3,7,9H2,1H3,(H2,14,15,17,18)
InChIKeyQZLLATKYZGRZCU-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.11
Rot. Bonds6

About N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide

N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide (PubChem CID 104590290) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
PubChem CID104590290
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESCCCCNC(=O)NC(=O)CSc1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-3-7-14-13(18)15-12(17)9-19-11-6-4-5-10(16)8-11/h4-6,8,16H,2-3,7,9H2,1H3,(H2,14,15,17,18)
InChIKeyQZLLATKYZGRZCU-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(butylcarbamoyl)-2-(3,4-dimethylphenyl)sulfanylacetamide
CID 8787700
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590387
N-(butylcarbamoyl)-2-[4-chloro-3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 8789742
N-(butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 8787419
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202
2-[[4-amino-5-[(3-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(butylcarbamoyl)acetamide
CID 55422700
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
N-butyl-2-(2-hydroxyphenyl)sulfanylacetamide
CID 62028199
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(butylcarbamoyl)acetamide
CID 27471295
N-(butylcarbamoyl)-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylacetamide
CID 8973360

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide (CID 104590290) is N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide is CCCCNC(=O)NC(=O)CSc1cccc(O)c1.
What is the InChIKey of N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The InChIKey is QZLLATKYZGRZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-3-7-14-13(18)15-12(17)9-19-11-6-4-5-10(16)8-11/h4-6,8,16H,2-3,7,9H2,1H3,(H2,14,15,17,18).
What are the key properties of N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide has a molecular weight of 282.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 104590290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).