N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide

C16H18N2O3S2 — CID 78875776

IUPACN-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-22-14-9-7-12(8-10-14)16(19)17-11-13-5-3-4-6-15(13)18-23(2,20)21/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyNYWFBFNVZHBVAX-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.71
Rot. Bonds6

About N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide

N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide (PubChem CID 78875776) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
PubChem CID78875776
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1
InChIInChI=1S/C16H18N2O3S2/c1-22-14-9-7-12(8-10-14)16(19)17-11-13-5-3-4-6-15(13)18-23(2,20)21/h3-10,18H,11H2,1-2H3,(H,17,19)
InChIKeyNYWFBFNVZHBVAX-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-fluoro-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476520
N-[[2-(methanesulfonamido)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 55711111
2-(4-tert-butylphenyl)sulfanyl-N-[[2-(methanesulfonamido)phenyl]methyl]acetamide
CID 55711321
4-fluoro-N-[1-[[2-(methanesulfonamido)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46476539
4-methylsulfanyl-N-[(2-nitrophenyl)methyl]benzamide
CID 78891109
N-[2-(ethylaminomethyl)phenyl]-4-methylsulfanylbenzamide
CID 79213773
methyl 2-[4-[[2-(methanesulfonamido)phenyl]methylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55776713
2-ethoxy-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 46476558
N-[[2-(methanesulfonamido)phenyl]methyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55711315
3-[(2-chlorophenyl)sulfamoyl]-N-[[2-(methanesulfonamido)phenyl]methyl]benzamide
CID 55711291
2-[2-[(4-methylsulfanylbenzoyl)amino]phenyl]acetic acid
CID 62536865
N-[[2-(methanesulfonamido)phenyl]methyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 46476484

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide (CID 78875776) is N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)cc1.
What is the InChIKey of N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide?
The InChIKey is NYWFBFNVZHBVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-22-14-9-7-12(8-10-14)16(19)17-11-13-5-3-4-6-15(13)18-23(2,20)21/h3-10,18H,11H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide?
N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide has a molecular weight of 350.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methanesulfonamido)phenyl]methyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78875776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).