4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide

C18H21NO4S — CID 26957780

IUPAC4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-13(15-8-10-17(11-9-15)24(3,21)22)19-18(20)16-6-4-14(5-7-16)12-23-2/h4-11,13H,12H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyROYMIBUUGBUAFK-ZDUSSCGKSA-N
MW347.44 g/mol
LogP2.73
Rot. Bonds6

About 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide

4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 26957780) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID26957780
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOCc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-13(15-8-10-17(11-9-15)24(3,21)22)19-18(20)16-6-4-14(5-7-16)12-23-2/h4-11,13H,12H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyROYMIBUUGBUAFK-ZDUSSCGKSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
N-[(1S)-1-[3-(methanesulfonamido)phenyl]ethyl]-4-(methoxymethyl)benzamide
CID 51947344
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8620540
4-[(2-chlorophenyl)methoxy]-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 133165582
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995
4-[methoxy(methyl)sulfamoyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 9162366
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 125081962

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 26957780) is 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide is COCc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is ROYMIBUUGBUAFK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-13(15-8-10-17(11-9-15)24(3,21)22)19-18(20)16-6-4-14(5-7-16)12-23-2/h4-11,13H,12H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 26957780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).