N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide

C17H20N2O3S2 — CID 2942864

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13(23-16-10-5-4-6-11-16)17(20)18-14-8-7-9-15(12-14)19(2)24(3,21)22/h4-13H,1-3H3,(H,18,20)
InChIKeyDZSQTQMNYVKNIM-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.20
Rot. Bonds6

About N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide (PubChem CID 2942864) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
PubChem CID2942864
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C17H20N2O3S2/c1-13(23-16-10-5-4-6-11-16)17(20)18-14-8-7-9-15(12-14)19(2)24(3,21)22/h4-13H,1-3H3,(H,18,20)
InChIKeyDZSQTQMNYVKNIM-UHFFFAOYSA-N
XLogP3.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

(2S)-2-benzylsulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 126135835
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
(2R)-N-[3-(diethylsulfamoyl)phenyl]-2-phenylsulfanylpropanamide
CID 8883782
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 132672856
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 1252494
N-phenyl-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712373
(2S)-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-(4-methylphenoxy)propanamide
CID 9179674
1-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(1-phenylethyl)thiourea
CID 133197047
1-[3-[methyl(methylsulfonyl)amino]phenyl]-3-[(1S)-1-phenylethyl]thiourea
CID 100583440
(2R)-2-(2,3-dimethylphenoxy)-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 30397106

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide (CID 2942864) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is DZSQTQMNYVKNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c1-13(23-16-10-5-4-6-11-16)17(20)18-14-8-7-9-15(12-14)19(2)24(3,21)22/h4-13H,1-3H3,(H,18,20).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 3.20, 6 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]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 2942864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).