2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

C24H25NO4S — CID 52630971

IUPAC2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO4S/c1-2-30(27,28)23-11-7-6-10-22(23)24(26)25-17-16-19-12-14-21(15-13-19)29-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26)
InChIKeyJGJWZMBLWZGNMO-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.03
Rot. Bonds9

About 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide

2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (PubChem CID 52630971) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
PubChem CID52630971
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H25NO4S/c1-2-30(27,28)23-11-7-6-10-22(23)24(26)25-17-16-19-12-14-21(15-13-19)29-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26)
InChIKeyJGJWZMBLWZGNMO-UHFFFAOYSA-N
XLogP4.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzylsulfonyl-N-(2-phenylethyl)benzamide
CID 5297896
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
4-phenylmethoxy-N-propylbenzamide
CID 4958389
2-phenyl-N-(2-phenylethyl)-5-phenylmethoxybenzamide
CID 16663785
3-(2-methoxyethylsulfamoyl)-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749716
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 29446930
4-(methylamino)-N-[2-(4-phenylmethoxyphenyl)ethyl]butanamide
CID 119735749
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
2-ethylsulfonyl-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 51102554
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
4-ethoxy-5-methoxy-2-nitro-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide
CID 55749777

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide (CID 52630971) is 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is CCS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
The InChIKey is JGJWZMBLWZGNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-2-30(27,28)23-11-7-6-10-22(23)24(26)25-17-16-19-12-14-21(15-13-19)29-18-20-8-4-3-5-9-20/h3-15H,2,16-18H2,1H3,(H,25,26).
What are the key properties of 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide?
2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide has a molecular weight of 423.53 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-[2-(4-phenylmethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 52630971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).