2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide

C24H22FN3O2S2 — CID 55329238

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H22FN3O2S2/c25-16-7-9-17(10-8-16)28-24(30)15-31-14-23(29)27-13-20(22-6-3-11-32-22)19-12-26-21-5-2-1-4-18(19)21/h1-12,20,26H,13-15H2,(H,27,29)(H,28,30)
InChIKeyDEJOGRQNWKYEIW-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.99
Rot. Bonds9

About 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide

2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 55329238) has the molecular formula C24H22FN3O2S2 and a molecular weight of 467.59 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID55329238
Molecular FormulaC24H22FN3O2S2
Molecular Weight467.59 g/mol
Exact Mass467.11
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
SMILESO=C(CSCC(=O)Nc1ccc(F)cc1)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C24H22FN3O2S2/c25-16-7-9-17(10-8-16)28-24(30)15-31-14-23(29)27-13-20(22-6-3-11-32-22)19-12-26-21-5-2-1-4-18(19)21/h1-12,20,26H,13-15H2,(H,27,29)(H,28,30)
InChIKeyDEJOGRQNWKYEIW-UHFFFAOYSA-N
XLogP4.99
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide with MolForge

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-[[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]propanamide
CID 8645674
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-methylphenyl)sulfanylacetamide
CID 55329076
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 42904642
1-(2-fluorophenyl)-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]urea
CID 24588097
2-(4-bromophenyl)-N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 27770907
2,6-difluoro-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]benzamide
CID 42904645
1-[1-(4-fluorophenyl)ethyl]-3-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-1-methylurea
CID 55472337
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide
CID 55436300
N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 26729750
N-[4-[[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 55366766
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
CID 51968356
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55433688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide (CID 55329238) is 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide is O=C(CSCC(=O)Nc1ccc(F)cc1)NCC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is DEJOGRQNWKYEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2S2/c25-16-7-9-17(10-8-16)28-24(30)15-31-14-23(29)27-13-20(22-6-3-11-32-22)19-12-26-21-5-2-1-4-18(19)21/h1-12,20,26H,13-15H2,(H,27,29)(H,28,30).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 467.59 g/mol, XLogP of 4.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 55329238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).