N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide

C19H23NO3S — CID 9477750

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSC)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-13(17-11-16(22-2)9-10-18(17)23-3)20-19(21)15-7-5-14(6-8-15)12-24-4/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyARSCVGMEVBDZPW-ZDUSSCGKSA-N
MW345.46 g/mol
LogP4.06
Rot. Bonds7

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 9477750) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID9477750
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide
SMILESCOc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSC)cc2)c1
InChIInChI=1S/C19H23NO3S/c1-13(17-11-16(22-2)9-10-18(17)23-3)20-19(21)15-7-5-14(6-8-15)12-24-4/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1
InChIKeyARSCVGMEVBDZPW-ZDUSSCGKSA-N
XLogP4.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 133200218
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzamide
CID 22107778
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-sulfamoylbenzamide
CID 55408572
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 99646890
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94867540
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25237075
4-(difluoromethylsulfonyl)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 9194269
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide (CID 9477750) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide is COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSC)cc2)c1.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is ARSCVGMEVBDZPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-13(17-11-16(22-2)9-10-18(17)23-3)20-19(21)15-7-5-14(6-8-15)12-24-4/h5-11,13H,12H2,1-4H3,(H,20,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 345.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9477750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).