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

C13H18N2O3S — CID 104590387

IUPACN-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)15-12(18)14-11(17)8-19-10-6-4-5-9(16)7-10/h4-7,16H,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyHNDCBZBLTYPUHZ-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.11
Rot. Bonds3

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

N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide (PubChem CID 104590387) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
PubChem CID104590387
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
SMILESCC(C)(C)NC(=O)NC(=O)CSc1cccc(O)c1
InChIInChI=1S/C13H18N2O3S/c1-13(2,3)15-12(18)14-11(17)8-19-10-6-4-5-9(16)7-10/h4-7,16H,8H2,1-3H3,(H2,14,15,17,18)
InChIKeyHNDCBZBLTYPUHZ-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 104590290
4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]sulfanylpyridine-2-carboxylic acid
CID 79561719
N-(tert-butylcarbamoyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 5223865
2-(2-amino-3-methylphenyl)sulfanyl-N-(tert-butylcarbamoyl)acetamide
CID 79146926
N-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)sulfanylacetamide
CID 22925705
N-(tert-butylcarbamoyl)-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 5155672
2-(3-hydroxyphenyl)sulfanyl-N-prop-2-enylacetamide
CID 104590202
2-[(6-amino-3-pyridinyl)sulfanyl]-N-(tert-butylcarbamoyl)acetamide
CID 43302063
2-(3-hydroxyphenyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 104590197
N-tert-butyl-2-(3-hydroxyphenyl)acetamide
CID 61399885
2-(3-hydroxyphenyl)sulfanyl-N-(2-nitrophenyl)acetamide
CID 104590183
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(tert-butylcarbamoyl)acetamide
CID 2620979

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide (CID 104590387) is N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide is CC(C)(C)NC(=O)NC(=O)CSc1cccc(O)c1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
The InChIKey is HNDCBZBLTYPUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-13(2,3)15-12(18)14-11(17)8-19-10-6-4-5-9(16)7-10/h4-7,16H,8H2,1-3H3,(H2,14,15,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide?
N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide has a molecular weight of 282.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(3-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 104590387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).