2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

C24H25NO4S — CID 46763374

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25NO4S/c1-17(30-21-13-14-22(27-2)23(15-21)28-3)24(26)25-19-9-11-20(12-10-19)29-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26)
InChIKeyRWOIAQBBMXJAKO-UHFFFAOYSA-N
MW423.53 g/mol
LogP5.40
Rot. Bonds9

About 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide

2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 46763374) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID46763374
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
SMILESCOc1ccc(SC(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25NO4S/c1-17(30-21-13-14-22(27-2)23(15-21)28-3)24(26)25-19-9-11-20(12-10-19)29-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26)
InChIKeyRWOIAQBBMXJAKO-UHFFFAOYSA-N
XLogP5.40
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.53
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-naphthalen-2-ylsulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 7402902
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-phenylpropanamide
CID 92674042
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]propanamide
CID 92678294
(2S)-N-(4-butylphenyl)-2-(3,4-dimethoxyphenyl)sulfanylpropanamide
CID 94027359
N-(4-methoxyphenyl)-2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 22777404
2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 46762832
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 28632787
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2R)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 7866717
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(4-phenylmethoxyphenyl)propanamide
CID 43870807

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide (CID 46763374) is 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide is COc1ccc(SC(C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is RWOIAQBBMXJAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c1-17(30-21-13-14-22(27-2)23(15-21)28-3)24(26)25-19-9-11-20(12-10-19)29-16-18-7-5-4-6-8-18/h4-15,17H,16H2,1-3H3,(H,25,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide?
2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 423.53 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 46763374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).