N-phenyl-2-sulfanylacetamide

C8H9NOS — CID 10382

IUPACN-phenyl-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyDLVKRCGYGJZXFK-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.55
Rot. Bonds2

About N-phenyl-2-sulfanylacetamide

N-phenyl-2-sulfanylacetamide (PubChem CID 10382) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is N-phenyl-2-sulfanylacetamide.

Molecular Properties

Compound NameN-phenyl-2-sulfanylacetamide
PubChem CID10382
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC NameN-phenyl-2-sulfanylacetamide
SMILESO=C(CS)Nc1ccccc1
InChIInChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyDLVKRCGYGJZXFK-UHFFFAOYSA-N
XLogP1.55
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.55
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

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
m-Aminoacetanilide
CID 7604
Chloroacetanilide
CID 11485
Acetoacetanilide
CID 7592
4-Aminoacetanilide
CID 31230
2-Aminoacetanilide
CID 208384
N-(4-Iodophenyl)acetamide
CID 12147
N-Phenylbutanamide
CID 14323
N-[4-(phenylamino)phenyl]acetamide
CID 789635
Nsc190763
CID 302991
2-Aminoacetanilide hydrochloride
CID 458752

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-sulfanylacetamide?
The IUPAC name of N-phenyl-2-sulfanylacetamide (CID 10382) is N-phenyl-2-sulfanylacetamide.
What is the SMILES notation for N-phenyl-2-sulfanylacetamide?
The canonical SMILES for N-phenyl-2-sulfanylacetamide is O=C(CS)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-sulfanylacetamide?
The InChIKey is DLVKRCGYGJZXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c10-8(6-11)9-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10).
What are the key properties of N-phenyl-2-sulfanylacetamide?
N-phenyl-2-sulfanylacetamide has a molecular weight of 167.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-sulfanylacetamide is sourced from PubChem (CID 10382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).