2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide

C24H20N2O2S4 — CID 3108904

IUPAC2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(SSc2ccc(NC(=O)Cc3cccs3)cc2)cc1
InChIInChI=1S/C24H20N2O2S4/c27-23(15-21-3-1-13-29-21)25-17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)26-24(28)16-22-4-2-14-30-22/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyPNQSGAYMUWWYNX-UHFFFAOYSA-N
MW496.70 g/mol
LogP6.97
Rot. Bonds9

About 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide

2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide (PubChem CID 3108904) has the molecular formula C24H20N2O2S4 and a molecular weight of 496.70 g/mol. Its IUPAC name is 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
PubChem CID3108904
Molecular FormulaC24H20N2O2S4
Molecular Weight496.70 g/mol
Exact Mass496.04
IUPAC Name2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide
SMILESO=C(Cc1cccs1)Nc1ccc(SSc2ccc(NC(=O)Cc3cccs3)cc2)cc1
InChIInChI=1S/C24H20N2O2S4/c27-23(15-21-3-1-13-29-21)25-17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)26-24(28)16-22-4-2-14-30-22/h1-14H,15-16H2,(H,25,27)(H,26,28)
InChIKeyPNQSGAYMUWWYNX-UHFFFAOYSA-N
XLogP6.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-thiophen-2-ylacetamide
CID 38019423
N,N-dimethyl-4-[(2-thiophen-2-ylacetyl)amino]benzamide
CID 8698592
2-thiophen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2808201
N-[4-(4-methylphenoxy)phenyl]-2-thiophen-2-ylacetamide
CID 7925201
N-[4-(2-chloroanilino)phenyl]-2-thiophen-2-ylacetamide
CID 112986929
N-[4-(2-methoxyethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 47183041
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-2-thiophen-2-ylacetamide
CID 76938616
N-(6-fluoro-3-pyridinyl)-2-thiophen-2-ylacetamide
CID 103789992
N-[4-(furan-2-ylmethylamino)phenyl]-2-thiophen-2-ylacetamide
CID 112981805
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7744758
N-[4-(2-amino-2-sulfanylideneethoxy)phenyl]-2-thiophen-2-ylacetamide
CID 43175462
N-[4-[3-(dimethylamino)propylamino]phenyl]-2-thiophen-2-ylacetamide
CID 112981528

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide?
The IUPAC name of 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide (CID 3108904) is 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide.
What is the SMILES notation for 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide?
The canonical SMILES for 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide is O=C(Cc1cccs1)Nc1ccc(SSc2ccc(NC(=O)Cc3cccs3)cc2)cc1.
What is the InChIKey of 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide?
The InChIKey is PNQSGAYMUWWYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S4/c27-23(15-21-3-1-13-29-21)25-17-5-9-19(10-6-17)31-32-20-11-7-18(8-12-20)26-24(28)16-22-4-2-14-30-22/h1-14H,15-16H2,(H,25,27)(H,26,28).
What are the key properties of 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide?
2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide has a molecular weight of 496.70 g/mol, XLogP of 6.97, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-N-[4-[[4-[(2-thiophen-2-ylacetyl)amino]phenyl]disulfanyl]phenyl]acetamide is sourced from PubChem (CID 3108904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).