N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide

C20H16N2O2S4 — CID 101414769

IUPACN-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(S)c2S)cc1)c1cccc(S)c1S
InChIInChI=1S/C20H16N2O2S4/c23-19(13-3-1-5-15(25)17(13)27)21-11-7-9-12(10-8-11)22-20(24)14-4-2-6-16(26)18(14)28/h1-10,25-28H,(H,21,23)(H,22,24)
InChIKeyGSHIJWOBYJSJPH-UHFFFAOYSA-N
MW444.63 g/mol
LogP5.35
Rot. Bonds4

About N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide

N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide (PubChem CID 101414769) has the molecular formula C20H16N2O2S4 and a molecular weight of 444.63 g/mol. Its IUPAC name is N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide.

Molecular Properties

Compound NameN-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
PubChem CID101414769
Molecular FormulaC20H16N2O2S4
Molecular Weight444.63 g/mol
Exact Mass444.01
IUPAC NameN-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide
SMILESO=C(Nc1ccc(NC(=O)c2cccc(S)c2S)cc1)c1cccc(S)c1S
InChIInChI=1S/C20H16N2O2S4/c23-19(13-3-1-5-15(25)17(13)27)21-11-7-9-12(10-8-11)22-20(24)14-4-2-6-16(26)18(14)28/h1-10,25-28H,(H,21,23)(H,22,24)
InChIKeyGSHIJWOBYJSJPH-UHFFFAOYSA-N
XLogP5.35
TPSA58.20 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500444.63
LogP ≤ 55.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylsulfanylphenyl)-2-sulfanylbenzamide
CID 113220462
2-chloro-N-(4-sulfanylphenyl)benzamide
CID 27137419
2-hydroxy-6-[[4-[(3-hydroxy-2-oxidobenzoyl)amino]phenyl]carbamoyl]phenolate
CID 155748475
2-methyl-N-(4-sulfanylphenyl)benzamide
CID 143459352
N-(4-butylphenyl)-2-sulfanylbenzamide
CID 107022706
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82787554
1-N,2-N-bis(4-iodophenyl)benzene-1,2-dicarboxamide
CID 2852267
2-hydroxy-1-N,3-N-bis[4-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 155920070
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
2-fluoro-N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzamide
CID 81477970
2-chloro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 43508377

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide?
The IUPAC name of N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide (CID 101414769) is N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide.
What is the SMILES notation for N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide?
The canonical SMILES for N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide is O=C(Nc1ccc(NC(=O)c2cccc(S)c2S)cc1)c1cccc(S)c1S.
What is the InChIKey of N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide?
The InChIKey is GSHIJWOBYJSJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S4/c23-19(13-3-1-5-15(25)17(13)27)21-11-7-9-12(10-8-11)22-20(24)14-4-2-6-16(26)18(14)28/h1-10,25-28H,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide?
N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide has a molecular weight of 444.63 g/mol, XLogP of 5.35, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,3-bis(sulfanyl)benzoyl]amino]phenyl]-2,3-bis(sulfanyl)benzamide is sourced from PubChem (CID 101414769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).