2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

C20H19N3O3S2 — CID 55663160

IUPAC2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H19N3O3S2/c1-23(28(25,26)17-10-7-13-21-14-17)15-20(24)22-18-11-5-6-12-19(18)27-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyMGIPBNIPLLJFCJ-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.49
Rot. Bonds7

About 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide

2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 55663160) has the molecular formula C20H19N3O3S2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID55663160
Molecular FormulaC20H19N3O3S2
Molecular Weight413.52 g/mol
Exact Mass413.09
IUPAC Name2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H19N3O3S2/c1-23(28(25,26)17-10-7-13-21-14-17)15-20(24)22-18-11-5-6-12-19(18)27-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,24)
InChIKeyMGIPBNIPLLJFCJ-UHFFFAOYSA-N
XLogP3.49
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-3-methyl-2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119369262
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55766151
N-(3-aminobutyl)-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 119495672
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 112801638
2-[(2-methoxy-5-propan-2-ylphenyl)sulfonyl-methylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 30168528
N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 55668921
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(1-naphthalen-1-ylethyl)acetamide
CID 46435313
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47029650
4-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]butanoic acid
CID 119352881
2-[2-[[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]amino]ethylsulfanyl]acetic acid
CID 120526439
N-[2-(methylamino)propyl]-2-[methyl(pyridin-3-ylsulfonyl)amino]acetamide;dihydrochloride
CID 120830025
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(2-phenylsulfanylphenyl)acetamide
CID 45372488

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide (CID 55663160) is 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is CN(CC(=O)Nc1ccccc1Sc1ccccc1)S(=O)(=O)c1cccnc1.
What is the InChIKey of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is MGIPBNIPLLJFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S2/c1-23(28(25,26)17-10-7-13-21-14-17)15-20(24)22-18-11-5-6-12-19(18)27-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,22,24).
What are the key properties of 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide?
2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 413.52 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 55663160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).