2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide

C26H28N2O4S — CID 55352112

IUPAC2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(20-8-4-3-5-9-20)27-26(30)23-10-6-7-11-24(23)28-25(29)18-33-17-16-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLTDRVNFMPSUGBA-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.94
Rot. Bonds11

About 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide

2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide (PubChem CID 55352112) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
PubChem CID55352112
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC Name2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O4S/c1-19(20-8-4-3-5-9-20)27-26(30)23-10-6-7-11-24(23)28-25(29)18-33-17-16-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyLTDRVNFMPSUGBA-UHFFFAOYSA-N
XLogP4.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(4-methylphenoxy)acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 7894290
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 7894311
N-(1-phenylethyl)-2-[(4-propoxybenzoyl)amino]benzamide
CID 4938490
2-[(4-butoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 8714570
2-[[4-(2-ethoxyethoxy)benzoyl]amino]-N-(1-phenylethyl)benzamide
CID 17112659
2-[[2-(4-anilinophenoxy)acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2449612
2-[[2-[(4-methoxyphenyl)sulfonyl-methylamino]acetyl]amino]-N-[(1S)-1-phenylethyl]benzamide
CID 31471529
2-[(4-pentoxybenzoyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 2463988
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
CID 81368855
2-[(2-phenylacetyl)amino]-N-[(1S)-1-phenylethyl]benzamide
CID 1210513
2-[[2-(2-formyl-4-methoxyphenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 24595104

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide (CID 55352112) is 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide is COc1ccc(OCCSCC(=O)Nc2ccccc2C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?
The InChIKey is LTDRVNFMPSUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-19(20-8-4-3-5-9-20)27-26(30)23-10-6-7-11-24(23)28-25(29)18-33-17-16-32-22-14-12-21(31-2)13-15-22/h3-15,19H,16-18H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide?
2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide has a molecular weight of 464.59 g/mol, XLogP of 4.94, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 55352112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).