N-(4-ethyl-3-sulfanylphenyl)acetamide

C10H13NOS — CID 130011196

IUPACN-(4-ethyl-3-sulfanylphenyl)acetamide
SMILESCCc1ccc(NC(C)=O)cc1S
InChIInChI=1S/C10H13NOS/c1-3-8-4-5-9(6-10(8)13)11-7(2)12/h4-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyRXIADIRAFDPXKP-UHFFFAOYSA-N
MW195.29 g/mol
LogP2.50
Rot. Bonds2

About N-(4-ethyl-3-sulfanylphenyl)acetamide

N-(4-ethyl-3-sulfanylphenyl)acetamide (PubChem CID 130011196) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(4-ethyl-3-sulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-3-sulfanylphenyl)acetamide
PubChem CID130011196
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(4-ethyl-3-sulfanylphenyl)acetamide
SMILESCCc1ccc(NC(C)=O)cc1S
InChIInChI=1S/C10H13NOS/c1-3-8-4-5-9(6-10(8)13)11-7(2)12/h4-6,13H,3H2,1-2H3,(H,11,12)
InChIKeyRXIADIRAFDPXKP-UHFFFAOYSA-N
XLogP2.50
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetamido-2-ethylphenyl)-2-methylpropanamide
CID 110459878
N-(5-acetamido-2-ethylphenyl)-2-aminoacetamide
CID 39185204
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
N-[3-(2-acetamidoanilino)-4-ethylphenyl]acetamide
CID 163304121
N-(3-cyclopropyloxy-4-ethylphenyl)acetamide
CID 59026368
N-(3-ethyl-4-propan-2-yloxyphenyl)acetamide
CID 66916731
N-[4-[(dimethylamino)methyl]-3-hydroxyphenyl]acetamide
CID 11735930
N-(3-amino-4-ethylphenyl)-2-ethylbutanamide
CID 28866738
5-amino-2-ethylbenzenethiol
CID 13245129
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(4-butyl-3-nitrophenyl)acetamide
CID 71393805
N-(5-acetamido-2-ethylphenyl)-2,4-difluorobenzamide
CID 108797375

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-sulfanylphenyl)acetamide?
The IUPAC name of N-(4-ethyl-3-sulfanylphenyl)acetamide (CID 130011196) is N-(4-ethyl-3-sulfanylphenyl)acetamide.
What is the SMILES notation for N-(4-ethyl-3-sulfanylphenyl)acetamide?
The canonical SMILES for N-(4-ethyl-3-sulfanylphenyl)acetamide is CCc1ccc(NC(C)=O)cc1S.
What is the InChIKey of N-(4-ethyl-3-sulfanylphenyl)acetamide?
The InChIKey is RXIADIRAFDPXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-8-4-5-9(6-10(8)13)11-7(2)12/h4-6,13H,3H2,1-2H3,(H,11,12).
What are the key properties of N-(4-ethyl-3-sulfanylphenyl)acetamide?
N-(4-ethyl-3-sulfanylphenyl)acetamide has a molecular weight of 195.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-sulfanylphenyl)acetamide is sourced from PubChem (CID 130011196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).