4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide

C21H27NO4S — CID 133165871

IUPAC4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C
InChIInChI=1S/C21H27NO4S/c1-13(2)18-12-19(14(3)11-20(18)26-5)21(23)22-15(4)16-7-9-17(10-8-16)27(6,24)25/h7-13,15H,1-6H3,(H,22,23)
InChIKeyVXYOCWXPONASEU-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.02
Rot. Bonds6

About 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide

4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide (PubChem CID 133165871) has the molecular formula C21H27NO4S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
PubChem CID133165871
Molecular FormulaC21H27NO4S
Molecular Weight389.52 g/mol
Exact Mass389.17
IUPAC Name4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide
SMILESCOc1cc(C)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C
InChIInChI=1S/C21H27NO4S/c1-13(2)18-12-19(14(3)11-20(18)26-5)21(23)22-15(4)16-7-9-17(10-8-16)27(6,24)25/h7-13,15H,1-6H3,(H,22,23)
InChIKeyVXYOCWXPONASEU-UHFFFAOYSA-N
XLogP4.02
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
5-chloro-4-iodo-2-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55607362
4-methoxy-2-methyl-N-[(2R)-3-methylbutan-2-yl]-5-propan-2-ylbenzamide
CID 100573271
4-methoxy-N',2-dimethyl-5-propan-2-ylbenzohydrazide
CID 116846868
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050
2-amino-3-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 67401935
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-5-methylsulfonylbenzamide
CID 78771753
4-methoxy-2-methyl-N-phenyl-5-propan-2-ylbenzamide
CID 83407606
2-methyl-5-methylsulfonyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855780
6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
CID 55474224
3-methoxy-N-[1-(4-methylsulfonylphenyl)ethyl]-4-phenylmethoxybenzamide
CID 55433266

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide?
The IUPAC name of 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide (CID 133165871) is 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide?
The canonical SMILES for 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide is COc1cc(C)c(C(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide?
The InChIKey is VXYOCWXPONASEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4S/c1-13(2)18-12-19(14(3)11-20(18)26-5)21(23)22-15(4)16-7-9-17(10-8-16)27(6,24)25/h7-13,15H,1-6H3,(H,22,23).
What are the key properties of 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide?
4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide has a molecular weight of 389.52 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-5-propan-2-ylbenzamide is sourced from PubChem (CID 133165871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).