2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide

C25H28N2O4S2 — CID 30168528

IUPAC2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-18(2)19-14-15-22(31-4)24(16-19)33(29,30)27(3)17-25(28)26-21-12-8-9-13-23(21)32-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyYHMOEMOHUXWOPH-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.23
Rot. Bonds9

About 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide

2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 30168528) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID30168528
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCOc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C25H28N2O4S2/c1-18(2)19-14-15-22(31-4)24(16-19)33(29,30)27(3)17-25(28)26-21-12-8-9-13-23(21)32-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,26,28)
InChIKeyYHMOEMOHUXWOPH-UHFFFAOYSA-N
XLogP5.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168349
N-(2-chlorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168355
N-(3-methoxyphenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168410
N-(4-fluorophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168353
N-(4-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168365
N-(3-bromophenyl)-2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]acetamide
CID 30168363
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30168402
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 55663160
N-(5-chloro-2-methoxyphenyl)-2-[methyl-(4-propan-2-ylphenyl)sulfonylamino]acetamide
CID 26941979
2-[(2-methoxy-5-methylphenyl)sulfonyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1294281
2-[(5-fluoro-2-methoxyphenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30168616
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872670

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide (CID 30168528) is 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide is COc1ccc(C(C)C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is YHMOEMOHUXWOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-18(2)19-14-15-22(31-4)24(16-19)33(29,30)27(3)17-25(28)26-21-12-8-9-13-23(21)32-20-10-6-5-7-11-20/h5-16,18H,17H2,1-4H3,(H,26,28).
What are the key properties of 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 484.64 g/mol, XLogP of 5.23, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 30168528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).