N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide

C30H28N2O2S2 — CID 87179245

IUPACN-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccccc1SSc1ccccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C30H28N2O2S2/c1-23(33)31(21-25-13-5-3-6-14-25)27-17-9-11-19-29(27)35-36-30-20-12-10-18-28(30)32(24(2)34)22-26-15-7-4-8-16-26/h3-20H,21-22H2,1-2H3
InChIKeyFHISGSWOODZUBL-UHFFFAOYSA-N
MW512.70 g/mol
LogP7.59
Rot. Bonds9

About N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide

N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide (PubChem CID 87179245) has the molecular formula C30H28N2O2S2 and a molecular weight of 512.70 g/mol. Its IUPAC name is N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide.

Molecular Properties

Compound NameN-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
PubChem CID87179245
Molecular FormulaC30H28N2O2S2
Molecular Weight512.70 g/mol
Exact Mass512.16
IUPAC NameN-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide
SMILESCC(=O)N(Cc1ccccc1)c1ccccc1SSc1ccccc1N(Cc1ccccc1)C(C)=O
InChIInChI=1S/C30H28N2O2S2/c1-23(33)31(21-25-13-5-3-6-14-25)27-17-9-11-19-29(27)35-36-30-20-12-10-18-28(30)32(24(2)34)22-26-15-7-4-8-16-26/h3-20H,21-22H2,1-2H3
InChIKeyFHISGSWOODZUBL-UHFFFAOYSA-N
XLogP7.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(2,3-dimethylphenyl)acetamide
CID 71247731
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
N-benzyl-N-(2-iodo-4-methylphenyl)acetamide
CID 11079043
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-propan-2-ylacetamide
CID 23534449
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
2-(N-acetyl-3-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171437
2-(N-acetyl-4-cyanoanilino)-N-benzyl-N-phenylacetamide
CID 113181175
benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
N-benzyl-N-(1-hydroxyethyl)acetamide
CID 54542101
2-[acetyl(benzyl)amino]propanoic acid
CID 11053213
(2S)-2-[acetyl(benzyl)amino]propanoic acid
CID 39244624

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide?
The IUPAC name of N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide (CID 87179245) is N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide.
What is the SMILES notation for N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide?
The canonical SMILES for N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide is CC(=O)N(Cc1ccccc1)c1ccccc1SSc1ccccc1N(Cc1ccccc1)C(C)=O.
What is the InChIKey of N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide?
The InChIKey is FHISGSWOODZUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2S2/c1-23(33)31(21-25-13-5-3-6-14-25)27-17-9-11-19-29(27)35-36-30-20-12-10-18-28(30)32(24(2)34)22-26-15-7-4-8-16-26/h3-20H,21-22H2,1-2H3.
What are the key properties of N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide?
N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide has a molecular weight of 512.70 g/mol, XLogP of 7.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-[acetyl(benzyl)amino]phenyl]disulfanyl]phenyl]-N-benzylacetamide is sourced from PubChem (CID 87179245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).