N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide

C18H22N2O4S — CID 55699794

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-9-10-14(11-17(12)24-3)18(21)19-13(2)15-7-5-6-8-16(15)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21)
InChIKeyZFXKOHJSWKIWMM-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.87
Rot. Bonds6

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide (PubChem CID 55699794) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
PubChem CID55699794
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)ccc1C
InChIInChI=1S/C18H22N2O4S/c1-12-9-10-14(11-17(12)24-3)18(21)19-13(2)15-7-5-6-8-16(15)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21)
InChIKeyZFXKOHJSWKIWMM-UHFFFAOYSA-N
XLogP2.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methanesulfonamido)phenyl]-3-methoxy-4-methylbenzamide
CID 35368704
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60544539
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 133163076
3-[(2,5-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methylbenzamide
CID 100619306
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,5-dimethylfuran-2-carboxamide
CID 96528827
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 42960995
4-(methanesulfonamido)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 42120084
4-(methanesulfonamido)-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 47018462
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide (CID 55699794) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)ccc1C.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is ZFXKOHJSWKIWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-12-9-10-14(11-17(12)24-3)18(21)19-13(2)15-7-5-6-8-16(15)20-25(4,22)23/h5-11,13,20H,1-4H3,(H,19,21).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 362.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 55699794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).