N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C25H27NO2S — CID 28570140

IUPACN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27NO2S/c1-4-28-23-13-11-21(12-14-23)19(3)26-25(27)22-9-7-20(8-10-22)17-29-24-15-5-18(2)6-16-24/h5-16,19H,4,17H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeySVBZRGKOFCDGRW-LJQANCHMSA-N
MW405.56 g/mol
LogP6.18
Rot. Bonds8

About N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 28570140) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID28570140
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC NameN-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C25H27NO2S/c1-4-28-23-13-11-21(12-14-23)19(3)26-25(27)22-9-7-20(8-10-22)17-29-24-15-5-18(2)6-16-24/h5-16,19H,4,17H2,1-3H3,(H,26,27)/t19-/m1/s1
InChIKeySVBZRGKOFCDGRW-LJQANCHMSA-N
XLogP6.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570144
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 99957185
methyl 4-[1-(4-ethoxyphenyl)ethylcarbamoyl]benzoate
CID 51292630
2-[[4-[(4-methylphenyl)sulfanylmethyl]benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 3950868
N-[1-(4-ethoxyphenyl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 55759452
4-[(4-chlorophenyl)sulfanylmethyl]-N-(4-ethoxyphenyl)benzamide
CID 3097680
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
4-[(4-ethoxy-N-methylsulfonylanilino)methyl]-N-[(1R)-1-(4-ethylphenyl)ethyl]benzamide
CID 125060844
[2-[[(1S)-1-(4-methylphenyl)ethyl]amino]-2-oxoethyl] 4-ethoxybenzoate
CID 95181177

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 28570140) is N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is CCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is SVBZRGKOFCDGRW-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-4-28-23-13-11-21(12-14-23)19(3)26-25(27)22-9-7-20(8-10-22)17-29-24-15-5-18(2)6-16-24/h5-16,19H,4,17H2,1-3H3,(H,26,27)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 405.56 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 28570140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).