2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide

C17H13F3N2O2S — CID 95785414

IUPAC2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc([S@](=O)C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)25(24)13-7-5-12(6-8-13)22-16(23)9-11-10-21-15-4-2-1-3-14(11)15/h1-8,10,21H,9H2,(H,22,23)/t25-/m0/s1
InChIKeyOOUCCYONIPGNBR-VWLOTQADSA-N
MW366.36 g/mol
LogP3.98
Rot. Bonds4

About 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide

2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide (PubChem CID 95785414) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
PubChem CID95785414
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)Nc1ccc([S@](=O)C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)25(24)13-7-5-12(6-8-13)22-16(23)9-11-10-21-15-4-2-1-3-14(11)15/h1-8,10,21H,9H2,(H,22,23)/t25-/m0/s1
InChIKeyOOUCCYONIPGNBR-VWLOTQADSA-N
XLogP3.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-(1H-indol-3-yl)acetamide
CID 2093840
N-(3,4-dihydroxyphenyl)-2-(1H-indol-3-yl)acetamide
CID 170716792
N-[4-(cyclopropanecarbonyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 110604202
N-[4-(cyanomethoxy)phenyl]-2-(1H-indol-3-yl)acetamide
CID 30874167
2-(1H-indol-3-yl)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 47051345
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
propyl 4-[[2-(1H-indol-3-yl)acetyl]amino]benzoate
CID 2449729
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-[2-(4-acetylanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 112999594
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
N-[4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 10383237

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide (CID 95785414) is 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide is O=C(Cc1c[nH]c2ccccc12)Nc1ccc([S@](=O)C(F)(F)F)cc1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide?
The InChIKey is OOUCCYONIPGNBR-VWLOTQADSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)25(24)13-7-5-12(6-8-13)22-16(23)9-11-10-21-15-4-2-1-3-14(11)15/h1-8,10,21H,9H2,(H,22,23)/t25-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide?
2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide has a molecular weight of 366.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-[(S)-trifluoromethylsulfinyl]phenyl]acetamide is sourced from PubChem (CID 95785414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).