2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide

C24H26N2O3S2 — CID 100781629

IUPAC2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C24H26N2O3S2/c1-4-26(31(28,29)23-16-18(2)14-15-19(23)3)17-24(27)25-21-12-8-9-13-22(21)30-20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyDXORAVPGDKQUKS-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.10
Rot. Bonds8

About 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide

2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 100781629) has the molecular formula C24H26N2O3S2 and a molecular weight of 454.62 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID100781629
Molecular FormulaC24H26N2O3S2
Molecular Weight454.62 g/mol
Exact Mass454.14
IUPAC Name2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C24H26N2O3S2/c1-4-26(31(28,29)23-16-18(2)14-15-19(23)3)17-24(27)25-21-12-8-9-13-22(21)30-20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27)
InChIKeyDXORAVPGDKQUKS-UHFFFAOYSA-N
XLogP5.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781403
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 45372488
2-[(2,5-dimethylphenyl)sulfonyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 7510049
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 100781520
N-(3,4-dimethylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781411
2-(2,5-dimethylphenyl)-N-(2-phenylsulfanylphenyl)acetamide
CID 28571076
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylphenyl)acetamide
CID 3632011
N-[(2S)-butan-2-yl]-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781337
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 100781619
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 126317339
N-(3-cyanophenyl)-2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]acetamide
CID 100781224
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 100781494

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide (CID 100781629) is 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide is CCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is DXORAVPGDKQUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S2/c1-4-26(31(28,29)23-16-18(2)14-15-19(23)3)17-24(27)25-21-12-8-9-13-22(21)30-20-10-6-5-7-11-20/h5-16H,4,17H2,1-3H3,(H,25,27).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 454.62 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 100781629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).