2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

C17H18N2O2S2 — CID 27015578

IUPAC2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C17H18N2O2S2/c1-12-6-8-13(9-7-12)22-11-17(21)19-14-4-2-3-5-15(14)23-10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyYCYXHZOLDUDZLD-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.30
Rot. Bonds7

About 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide

2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (PubChem CID 27015578) has the molecular formula C17H18N2O2S2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
PubChem CID27015578
Molecular FormulaC17H18N2O2S2
Molecular Weight346.48 g/mol
Exact Mass346.08
IUPAC Name2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
SMILESCc1ccc(SCC(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C17H18N2O2S2/c1-12-6-8-13(9-7-12)22-11-17(21)19-14-4-2-3-5-15(14)23-10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21)
InChIKeyYCYXHZOLDUDZLD-UHFFFAOYSA-N
XLogP3.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylsulfanylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 46763178
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9042175
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
N-[2-(difluoromethoxy)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 2995782
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(methylamino)butanamide
CID 54925110
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 79126919
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 119438694
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide (CID 27015578) is 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is Cc1ccc(SCC(=O)Nc2ccccc2SCC(N)=O)cc1.
What is the InChIKey of 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
The InChIKey is YCYXHZOLDUDZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2/c1-12-6-8-13(9-7-12)22-11-17(21)19-14-4-2-3-5-15(14)23-10-16(18)20/h2-9H,10-11H2,1H3,(H2,18,20)(H,19,21).
What are the key properties of 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide?
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide has a molecular weight of 346.48 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide is sourced from PubChem (CID 27015578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).