N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C18H22N2O4S — CID 99645643

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13(14-9-6-8-12-17(14)24-3)19-18(21)15-10-5-7-11-16(15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyQMBHXCRHFAXTAA-CYBMUJFWSA-N
MW362.45 g/mol
LogP2.58
Rot. Bonds6

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 99645643) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID99645643
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O
InChIInChI=1S/C18H22N2O4S/c1-13(14-9-6-8-12-17(14)24-3)19-18(21)15-10-5-7-11-16(15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21)/t13-/m1/s1
InChIKeyQMBHXCRHFAXTAA-CYBMUJFWSA-N
XLogP2.58
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18153166
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-chloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-[methyl(methylsulfonyl)amino]benzamide
CID 100677066
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 28635604
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 94612968
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81390779
N-[1-(2-methoxyphenyl)ethyl]-2-propan-2-ylsulfanylbenzamide
CID 78771297
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
N-(2-methoxyphenyl)-N-methylmethanesulfonamide
CID 61061885
methyl 2-[2-[methyl(methylsulfonyl)amino]phenyl]propanoate
CID 67479231

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 99645643) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is COc1ccccc1[C@@H](C)NC(=O)c1ccccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is QMBHXCRHFAXTAA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13(14-9-6-8-12-17(14)24-3)19-18(21)15-10-5-7-11-16(15)20(2)25(4,22)23/h5-13H,1-4H3,(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 362.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 99645643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).