2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

C26H26N2O2S — CID 4319282

IUPAC2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C26H26N2O2S/c1-19-11-13-20(14-12-19)18-31-25-17-28(23-9-5-3-7-21(23)25)16-15-27-26(29)22-8-4-6-10-24(22)30-2/h3-14,17H,15-16,18H2,1-2H3,(H,27,29)
InChIKeyDFXBMARJBXDPSF-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.68
Rot. Bonds8

About 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide

2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide (PubChem CID 4319282) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
PubChem CID4319282
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCc2ccc(C)cc2)c2ccccc21
InChIInChI=1S/C26H26N2O2S/c1-19-11-13-20(14-12-19)18-31-25-17-28(23-9-5-3-7-21(23)25)16-15-27-26(29)22-8-4-6-10-24(22)30-2/h3-14,17H,15-16,18H2,1-2H3,(H,27,29)
InChIKeyDFXBMARJBXDPSF-UHFFFAOYSA-N
XLogP5.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[4-(benzenesulfonylcarbamoyl)-2-methoxyphenyl]methyl]-N-(cyclopentylmethyl)indole-6-carboxamide
CID 15013749
2-(1-benzyl-3-methylsulfanylindol-2-yl)-N-(4-methoxyphenyl)acetamide
CID 1040844
2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(2-methylphenyl)sulfonylbenzamide
CID 155384196
N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-methoxybenzamide
CID 979773
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994
N-(4-methoxyphenyl)-2-[1-methyl-3-(phenylsulfanyl)-1H-indol-2-yl]acetamide
CID 1270613
2-methoxy-4-methylsulfanyl-N-quinolin-6-ylbenzamide
CID 1506498
2-methoxy-N-[(1Z)-1-(1-methyl-1H-indol-3-yl)-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 1957379
4-methoxy-N-(2-{3-[(2-morpholin-4-yl-2-oxoethyl)thio]-1H-indol-1-yl}ethyl)benzamide
CID 3236279
N-[2-(1H-indol-1-yl)ethyl]-4-methoxybenzamide
CID 3236755
N-[2-(1H-indol-1-yl)ethyl]-2-methoxybenzamide
CID 3240503
N-[2-(1H-indol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 3241267

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide (CID 4319282) is 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide is COc1ccccc1C(=O)NCCn1cc(SCc2ccc(C)cc2)c2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
The InChIKey is DFXBMARJBXDPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-19-11-13-20(14-12-19)18-31-25-17-28(23-9-5-3-7-21(23)25)16-15-27-26(29)22-8-4-6-10-24(22)30-2/h3-14,17H,15-16,18H2,1-2H3,(H,27,29).
What are the key properties of 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide?
2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[3-[(4-methylphenyl)methylsulfanyl]indol-1-yl]ethyl]benzamide is sourced from PubChem (CID 4319282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).