3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

C18H21NO4S — CID 26958285

IUPAC3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C
InChIInChI=1S/C18H21NO4S/c1-12-5-6-15(11-17(12)23-3)18(20)19-13(2)14-7-9-16(10-8-14)24(4,21)22/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyKSBNXIUIZBCQKT-CYBMUJFWSA-N
MW347.44 g/mol
LogP2.90
Rot. Bonds5

About 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide

3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (PubChem CID 26958285) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
PubChem CID26958285
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C
InChIInChI=1S/C18H21NO4S/c1-12-5-6-15(11-17(12)23-3)18(20)19-13(2)14-7-9-16(10-8-14)24(4,21)22/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyKSBNXIUIZBCQKT-CYBMUJFWSA-N
XLogP2.90
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
CID 133165871
4-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide
CID 26468357
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
4-(methoxymethyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26957780
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide (CID 26958285) is 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is COc1cc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
The InChIKey is KSBNXIUIZBCQKT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-12-5-6-15(11-17(12)23-3)18(20)19-13(2)14-7-9-16(10-8-14)24(4,21)22/h5-11,13H,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide?
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide has a molecular weight of 347.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 26958285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).