2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide

C18H22N2O3S2 — CID 9068077

IUPAC2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-13(2)14-8-10-15(11-9-14)25(22,23)20-16-6-4-5-7-17(16)24-12-18(19)21/h4-11,13,20H,3,12H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyYMYIVMOSRQISJU-CYBMUJFWSA-N
MW378.52 g/mol
LogP3.58
Rot. Bonds8

About 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide

2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068077) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068077
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC Name2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
SMILESCC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C18H22N2O3S2/c1-3-13(2)14-8-10-15(11-9-14)25(22,23)20-16-6-4-5-7-17(16)24-12-18(19)21/h4-11,13,20H,3,12H2,1-2H3,(H2,19,21)/t13-/m1/s1
InChIKeyYMYIVMOSRQISJU-CYBMUJFWSA-N
XLogP3.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
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
N-[2-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]pyrrolidine-1-carboxamide
CID 60534416
4-butan-2-yl-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774163
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
4-butan-2-yl-N-[4-[(4-butan-2-ylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 25042708
2-[2-(propylamino)phenyl]sulfanylacetamide
CID 43722615
4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
2-[2-(5-methylheptan-3-ylamino)phenyl]sulfanylacetamide
CID 43722576

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide (CID 9068077) is 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide is CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2SCC(N)=O)cc1.
What is the InChIKey of 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is YMYIVMOSRQISJU-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-3-13(2)14-8-10-15(11-9-14)25(22,23)20-16-6-4-5-7-17(16)24-12-18(19)21/h4-11,13,20H,3,12H2,1-2H3,(H2,19,21)/t13-/m1/s1.
What are the key properties of 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 378.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).