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

C16H18N2O3S2 — CID 1252494

IUPACN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-2/h4-11H,1-3H3,(H,17,19)
InChIKeySLXGWJXTLMWTOP-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.06
Rot. Bonds5

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

N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide (PubChem CID 1252494) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
PubChem CID1252494
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
InChIInChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-2/h4-11H,1-3H3,(H,17,19)
InChIKeySLXGWJXTLMWTOP-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-methylsulfanylbenzamide
CID 17457217
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597
2-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]propanamide
CID 56920914
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
N-(3-ethylphenyl)-2-methylsulfanylbenzamide
CID 2591348
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylsulfanylpropanamide
CID 2942864
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
N-(3-ethynylphenyl)-2-methylsulfanylbenzamide
CID 24676261
1-(3-chlorophenyl)-3-[3-[methyl(methylsulfonyl)amino]phenyl]urea
CID 2224615
(2S)-2-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-phenylacetamide
CID 125054821
3-(dimethylsulfamoyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100624777
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-[(N-methylsulfonylanilino)methyl]benzamide
CID 1319509

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide (CID 1252494) is N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide?
The InChIKey is SLXGWJXTLMWTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-18(23(3,20)21)13-8-6-7-12(11-13)17-16(19)14-9-4-5-10-15(14)22-2/h4-11H,1-3H3,(H,17,19).
What are the key properties of N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide?
N-[3-[methyl(methylsulfonyl)amino]phenyl]-2-methylsulfanylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 3.06, 5 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-methylsulfanylbenzamide is sourced from PubChem (CID 1252494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).