N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide

C26H24FN3O3S — CID 4581652

IUPACN-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C26H24FN3O3S/c1-33-23-13-7-3-9-19(23)26(32)28-14-15-30-16-24(18-8-2-6-12-22(18)30)34-17-25(31)29-21-11-5-4-10-20(21)27/h2-13,16H,14-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyHHMXHDWIOZXUGW-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.95
Rot. Bonds9

About N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide

N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide (PubChem CID 4581652) has the molecular formula C26H24FN3O3S and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
PubChem CID4581652
Molecular FormulaC26H24FN3O3S
Molecular Weight477.56 g/mol
Exact Mass477.15
IUPAC NameN-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2ccccc2F)c2ccccc21
InChIInChI=1S/C26H24FN3O3S/c1-33-23-13-7-3-9-19(23)26(32)28-14-15-30-16-24(18-8-2-6-12-22(18)30)34-17-25(31)29-21-11-5-4-10-20(21)27/h2-13,16H,14-15,17H2,1H3,(H,28,32)(H,29,31)
InChIKeyHHMXHDWIOZXUGW-UHFFFAOYSA-N
XLogP4.95
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-methoxy-N-(2-{3-[(2-morpholin-4-yl-2-oxoethyl)thio]-1H-indol-1-yl}ethyl)benzamide
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N-[2-(1H-indol-1-yl)ethyl]-2-methoxybenzamide
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N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
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N-(2-indol-1-ylethyl)-3-methoxybenzamide
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N-(2-{3-[({[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-1H-indol-1-YL}ethyl)-4-methoxybenzamide
CID 4615215
Ethyl 2-{2-[(1-{2-[(2-methoxyphenyl)formamido]ethyl}-1H-indol-3-YL)sulfanyl]propanamido}-4H,5H,6H-cyclopenta[B]thiophene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide (CID 4581652) is N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2ccccc2F)c2ccccc21.
What is the InChIKey of N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
The InChIKey is HHMXHDWIOZXUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3S/c1-33-23-13-7-3-9-19(23)26(32)28-14-15-30-16-24(18-8-2-6-12-22(18)30)34-17-25(31)29-21-11-5-4-10-20(21)27/h2-13,16H,14-15,17H2,1H3,(H,28,32)(H,29,31).
What are the key properties of N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide?
N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide has a molecular weight of 477.56 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 4581652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).