N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

C25H27NO2S — CID 99957185

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H27NO2S/c1-4-24(20-11-13-22(28-3)14-12-20)26-25(27)21-9-7-19(8-10-21)17-29-23-15-5-18(2)6-16-23/h5-16,24H,4,17H2,1-3H3,(H,26,27)/t24-/m1/s1
InChIKeyNUPSDQCTWLAFCC-XMMPIXPASA-N
MW405.56 g/mol
LogP6.18
Rot. Bonds8

About N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 99957185) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID99957185
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1
InChIInChI=1S/C25H27NO2S/c1-4-24(20-11-13-22(28-3)14-12-20)26-25(27)21-9-7-19(8-10-21)17-29-23-15-5-18(2)6-16-23/h5-16,24H,4,17H2,1-3H3,(H,26,27)/t24-/m1/s1
InChIKeyNUPSDQCTWLAFCC-XMMPIXPASA-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

4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
4-(methoxymethyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 8624127
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570140
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28570144
4-[(4-chlorophenyl)sulfanylmethyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133235547
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 94019397
methyl 4-[[(1S)-1-(4-methylphenyl)propyl]carbamoyl]benzoate
CID 9297354
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-methylbenzamide
CID 28631733
N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 28956181
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 99957185) is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is NUPSDQCTWLAFCC-XMMPIXPASA-N. The full InChI is InChI=1S/C25H27NO2S/c1-4-24(20-11-13-22(28-3)14-12-20)26-25(27)21-9-7-19(8-10-21)17-29-23-15-5-18(2)6-16-23/h5-16,24H,4,17H2,1-3H3,(H,26,27)/t24-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-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-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 99957185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).