N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide

C11H14N2O3S — CID 47262923

IUPACN-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C11H14N2O3S/c1-2-12-11(16)13-10(15)7-17-9-5-3-8(14)4-6-9/h3-6,14H,2,7H2,1H3,(H2,12,13,15,16)
InChIKeyYHOWEGFBRMKFET-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.33
Rot. Bonds4

About N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide

N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide (PubChem CID 47262923) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide
PubChem CID47262923
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide
SMILESCCNC(=O)NC(=O)CSc1ccc(O)cc1
InChIInChI=1S/C11H14N2O3S/c1-2-12-11(16)13-10(15)7-17-9-5-3-8(14)4-6-9/h3-6,14H,2,7H2,1H3,(H2,12,13,15,16)
InChIKeyYHOWEGFBRMKFET-UHFFFAOYSA-N
XLogP1.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The IUPAC name of N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide (CID 47262923) is N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide is CCNC(=O)NC(=O)CSc1ccc(O)cc1.
What is the InChIKey of N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
The InChIKey is YHOWEGFBRMKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-2-12-11(16)13-10(15)7-17-9-5-3-8(14)4-6-9/h3-6,14H,2,7H2,1H3,(H2,12,13,15,16).
What are the key properties of N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide?
N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide has a molecular weight of 254.31 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-(4-hydroxyphenyl)sulfanylacetamide is sourced from PubChem (CID 47262923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).