N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide

C10H12N2O2S2 — CID 87253093

IUPACN-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide
SMILESCC(=O)N(S)c1ccc(N(S)C(C)=O)cc1
InChIInChI=1S/C10H12N2O2S2/c1-7(13)11(15)9-3-5-10(6-4-9)12(16)8(2)14/h3-6,15-16H,1-2H3
InChIKeyDOLGZHVELLQTTO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.08
Rot. Bonds2

About N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide

N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide (PubChem CID 87253093) has the molecular formula C10H12N2O2S2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide
PubChem CID87253093
Molecular FormulaC10H12N2O2S2
Molecular Weight256.35 g/mol
Exact Mass256.03
IUPAC NameN-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide
SMILESCC(=O)N(S)c1ccc(N(S)C(C)=O)cc1
InChIInChI=1S/C10H12N2O2S2/c1-7(13)11(15)9-3-5-10(6-4-9)12(16)8(2)14/h3-6,15-16H,1-2H3
InChIKeyDOLGZHVELLQTTO-UHFFFAOYSA-N
XLogP2.08
TPSA40.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide?
The IUPAC name of N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide (CID 87253093) is N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide.
What is the SMILES notation for N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide?
The canonical SMILES for N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide is CC(=O)N(S)c1ccc(N(S)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide?
The InChIKey is DOLGZHVELLQTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S2/c1-7(13)11(15)9-3-5-10(6-4-9)12(16)8(2)14/h3-6,15-16H,1-2H3.
What are the key properties of N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide?
N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide has a molecular weight of 256.35 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(sulfanyl)amino]phenyl]-N-sulfanylacetamide is sourced from PubChem (CID 87253093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).