Benzamide, 2,2'-dithiobis(N-propyl-

C20H24N2O2S2 — CID 202209

IUPACN-propyl-2-[[2-(propylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCC
InChIInChI=1S/C20H24N2O2S2/c1-3-13-21-19(23)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYEGDCKYCFIROQE-UHFFFAOYSA-N
MW388.60 g/mol
LogP4.40
Rot. Bonds9

About Benzamide, 2,2'-dithiobis(N-propyl-

Benzamide, 2,2'-dithiobis(N-propyl- (PubChem CID 202209) has the molecular formula C20H24N2O2S2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N-propyl-2-[[2-(propylcarbamoyl)phenyl]disulfanyl]benzamide.

Molecular Properties

Compound NameBenzamide, 2,2'-dithiobis(N-propyl-
PubChem CID202209
Molecular FormulaC20H24N2O2S2
Molecular Weight388.60 g/mol
Exact Mass388.13
IUPAC NameN-propyl-2-[[2-(propylcarbamoyl)phenyl]disulfanyl]benzamide
SMILESCCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCC
InChIInChI=1S/C20H24N2O2S2/c1-3-13-21-19(23)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYEGDCKYCFIROQE-UHFFFAOYSA-N
XLogP4.40
TPSA109.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity408

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.60
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Benzamide, 2,2'-dithiobis(N-propyl-?
The IUPAC name of Benzamide, 2,2'-dithiobis(N-propyl- (CID 202209) is N-propyl-2-[[2-(propylcarbamoyl)phenyl]disulfanyl]benzamide.
What is the SMILES notation for Benzamide, 2,2'-dithiobis(N-propyl-?
The canonical SMILES for Benzamide, 2,2'-dithiobis(N-propyl- is CCCNC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)NCCC.
What is the InChIKey of Benzamide, 2,2'-dithiobis(N-propyl-?
The InChIKey is YEGDCKYCFIROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S2/c1-3-13-21-19(23)15-9-5-7-11-17(15)25-26-18-12-8-6-10-16(18)20(24)22-14-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of Benzamide, 2,2'-dithiobis(N-propyl-?
Benzamide, 2,2'-dithiobis(N-propyl- has a molecular weight of 388.60 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Benzamide, 2,2'-dithiobis(N-propyl- is sourced from PubChem (CID 202209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).