2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide

C22H22N2O3S2 — CID 11837035

IUPAC2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H22N2O3S2/c1-17(24(29(2,26)27)18-11-5-3-6-12-18)22(25)23-20-15-9-10-16-21(20)28-19-13-7-4-8-14-19/h3-17H,1-2H3,(H,23,25)
InChIKeyBSAPOTTZWCQXNU-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.63
Rot. Bonds7

About 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide

2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (PubChem CID 11837035) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
PubChem CID11837035
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC Name2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C22H22N2O3S2/c1-17(24(29(2,26)27)18-11-5-3-6-12-18)22(25)23-20-15-9-10-16-21(20)28-19-13-7-4-8-14-19/h3-17H,1-2H3,(H,23,25)
InChIKeyBSAPOTTZWCQXNU-UHFFFAOYSA-N
XLogP4.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The IUPAC name of 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide (CID 11837035) is 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The canonical SMILES for 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is CC(C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O.
What is the InChIKey of 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
The InChIKey is BSAPOTTZWCQXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-17(24(29(2,26)27)18-11-5-3-6-12-18)22(25)23-20-15-9-10-16-21(20)28-19-13-7-4-8-14-19/h3-17H,1-2H3,(H,23,25).
What are the key properties of 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide?
2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide has a molecular weight of 426.56 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylsulfonylanilino)-N-(2-phenylsulfanylphenyl)propanamide is sourced from PubChem (CID 11837035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).