N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide

C17H20N2O3S2 — CID 1319196

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide
SMILESCN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S2/c1-19(24(2,21)22)15-8-6-7-14(13-15)18-17(20)11-12-23-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)
InChIKeyJKPWSPILWYSNCO-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide (PubChem CID 1319196) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide
PubChem CID1319196
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide
SMILESCN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O
InChIInChI=1S/C17H20N2O3S2/c1-19(24(2,21)22)15-8-6-7-14(13-15)18-17(20)11-12-23-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,18,20)
InChIKeyJKPWSPILWYSNCO-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide (CID 1319196) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide is CN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide?
The InChIKey is JKPWSPILWYSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-19(24(2,21)22)15-8-6-7-14(13-15)18-17(20)11-12-23-16-9-4-3-5-10-16/h3-10,13H,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 1319196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).