N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide

C20H18F3N3O2S — CID 5161873

IUPACN-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)CSc1cn(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)14-5-3-4-13(10-14)19(28)25-8-9-26-11-17(29-12-18(24)27)15-6-1-2-7-16(15)26/h1-7,10-11H,8-9,12H2,(H2,24,27)(H,25,28)
InChIKeyPFFCWXGGDUNZPY-UHFFFAOYSA-N
MW421.44 g/mol
LogP3.67
Rot. Bonds7

About N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide

N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide (PubChem CID 5161873) has the molecular formula C20H18F3N3O2S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
PubChem CID5161873
Molecular FormulaC20H18F3N3O2S
Molecular Weight421.44 g/mol
Exact Mass421.11
IUPAC NameN-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
SMILESNC(=O)CSc1cn(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12
InChIInChI=1S/C20H18F3N3O2S/c21-20(22,23)14-5-3-4-13(10-14)19(28)25-8-9-26-11-17(29-12-18(24)27)15-6-1-2-7-16(15)26/h1-7,10-11H,8-9,12H2,(H2,24,27)(H,25,28)
InChIKeyPFFCWXGGDUNZPY-UHFFFAOYSA-N
XLogP3.67
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 5067210
N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3,4-dimethylbenzamide
CID 5080057
N-[2-[3-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 3646294
N-[2-[3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 41050370
N-[2-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 4581407
ethyl 2-[[2-[1-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3561055
3,4-dimethoxy-N-[2-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4084511
N-[2-[3-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4161093
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4131124
N-[2-[3-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 5123162
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
N-[2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3335860

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide (CID 5161873) is N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide is NC(=O)CSc1cn(CCNC(=O)c2cccc(C(F)(F)F)c2)c2ccccc12.
What is the InChIKey of N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PFFCWXGGDUNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2S/c21-20(22,23)14-5-3-4-13(10-14)19(28)25-8-9-26-11-17(29-12-18(24)27)15-6-1-2-7-16(15)26/h1-7,10-11H,8-9,12H2,(H2,24,27)(H,25,28).
What are the key properties of N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide?
N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 421.44 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-amino-2-oxoethyl)sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 5161873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).