2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

C16H14Cl2N2O2S2 — CID 27717418

IUPAC2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O2S2/c17-10-5-6-11(18)14(7-10)24-9-16(22)20-12-3-1-2-4-13(12)23-8-15(19)21/h1-7H,8-9H2,(H2,19,21)(H,20,22)
InChIKeyRJJYLVHDRQNUQC-UHFFFAOYSA-N
MW401.34 g/mol
LogP4.30
Rot. Bonds7

About 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (PubChem CID 27717418) has the molecular formula C16H14Cl2N2O2S2 and a molecular weight of 401.34 g/mol. Its IUPAC name is 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
PubChem CID27717418
Molecular FormulaC16H14Cl2N2O2S2
Molecular Weight401.34 g/mol
Exact Mass399.99
IUPAC Name2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H14Cl2N2O2S2/c17-10-5-6-11(18)14(7-10)24-9-16(22)20-12-3-1-2-4-13(12)23-8-15(19)21/h1-7H,8-9H2,(H2,19,21)(H,20,22)
InChIKeyRJJYLVHDRQNUQC-UHFFFAOYSA-N
XLogP4.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.34
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 7870586
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9043953
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
CID 9044544
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997047
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9041896
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9041843
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]sulfanylacetamide
CID 115762712
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42238821

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (CID 27717418) is 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC(=O)CSc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The InChIKey is RJJYLVHDRQNUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O2S2/c17-10-5-6-11(18)14(7-10)24-9-16(22)20-12-3-1-2-4-13(12)23-8-15(19)21/h1-7H,8-9H2,(H2,19,21)(H,20,22).
What are the key properties of 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide has a molecular weight of 401.34 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 27717418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).