2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide

C17H20N2O3S2 — CID 9068075

IUPAC2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12(2)13-7-9-14(10-8-13)24(21,22)19-15-5-3-4-6-16(15)23-11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyKBDWUGAHVOZCMQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.19
Rot. Bonds7

About 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068075) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068075
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C17H20N2O3S2/c1-12(2)13-7-9-14(10-8-13)24(21,22)19-15-5-3-4-6-16(15)23-11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20)
InChIKeyKBDWUGAHVOZCMQ-UHFFFAOYSA-N
XLogP3.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068061
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068095
2-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 7574221
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-propan-2-ylbenzenesulfonamide
CID 17466595
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
4-propan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3597122
N-(2-butylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 22774369

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 9068075) is 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide is CC(C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1.
What is the InChIKey of 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is KBDWUGAHVOZCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-12(2)13-7-9-14(10-8-13)24(21,22)19-15-5-3-4-6-16(15)23-11-17(18)20/h3-10,12,19H,11H2,1-2H3,(H2,18,20).
What are the key properties of 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 364.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).