N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide

C17H20N2O6S2 — CID 55618945

IUPACN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O6S2/c1-25-16-10-14(7-8-15(16)19-27(3,23)24)18-17(20)13-6-4-5-12(9-13)11-26(2,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDKCTWXXZXQHDIE-UHFFFAOYSA-N
MW412.49 g/mol
LogP1.86
Rot. Bonds7

About N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide

N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 55618945) has the molecular formula C17H20N2O6S2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID55618945
Molecular FormulaC17H20N2O6S2
Molecular Weight412.49 g/mol
Exact Mass412.08
IUPAC NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C17H20N2O6S2/c1-25-16-10-14(7-8-15(16)19-27(3,23)24)18-17(20)13-6-4-5-12(9-13)11-26(2,21)22/h4-10,19H,11H2,1-3H3,(H,18,20)
InChIKeyDKCTWXXZXQHDIE-UHFFFAOYSA-N
XLogP1.86
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667578
3-(benzenesulfonylmethyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]benzamide
CID 55827287
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-[(3-methylphenyl)methoxy]benzamide
CID 37262028
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
N-(4-bromo-3-methylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 27667538
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 37261170
methyl 4-methyl-3-[[3-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 7669541
N-[3-(diethylcarbamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 26313396
3-(difluoromethoxy)-N-[4-(ethylsulfonylamino)-3-methoxyphenyl]benzamide
CID 55948591
4-anilino-N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-nitrobenzamide
CID 37260133
3-(methylsulfonylmethyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 9188162
3-(methylsulfonylmethyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572209

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide (CID 55618945) is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide is COc1cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is DKCTWXXZXQHDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6S2/c1-25-16-10-14(7-8-15(16)19-27(3,23)24)18-17(20)13-6-4-5-12(9-13)11-26(2,21)22/h4-10,19H,11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide?
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 412.49 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 55618945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).