N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide

C16H17NO3S2 — CID 8761868

IUPACN-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H17NO3S2/c1-21-15-5-3-4-14(10-15)17-16(18)13-8-6-12(7-9-13)11-22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyJFIQMTPLVCZLTN-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.21
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide

N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide (PubChem CID 8761868) has the molecular formula C16H17NO3S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
PubChem CID8761868
Molecular FormulaC16H17NO3S2
Molecular Weight335.45 g/mol
Exact Mass335.06
IUPAC NameN-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1
InChIInChI=1S/C16H17NO3S2/c1-21-15-5-3-4-14(10-15)17-16(18)13-8-6-12(7-9-13)11-22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyJFIQMTPLVCZLTN-UHFFFAOYSA-N
XLogP3.21
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
N-(3,5-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 27054975
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
4-cyano-N-(3-methylsulfanylphenyl)benzamide
CID 2665655
tert-butyl N-[[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 9072686
N-(3-methylsulfanylphenyl)-4-pyrrol-1-ylbenzamide
CID 24536258
N-(3-methylsulfanylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9402797
4-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)benzamide
CID 9402903
N-[3-(bromomethyl)phenyl]-4-methylsulfanylbenzamide
CID 113273954

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide (CID 8761868) is N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide is CSc1cccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
The InChIKey is JFIQMTPLVCZLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S2/c1-21-15-5-3-4-14(10-15)17-16(18)13-8-6-12(7-9-13)11-22(2,19)20/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide?
N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide has a molecular weight of 335.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 8761868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).