(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone

C16H11ClF3NO3S — CID 141206554

IUPAC(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone
SMILESCOc1ccc2c(cc(C)n2C(=O)c2csc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C16H11ClF3NO3S/c1-8-5-10-11(3-4-12(23-2)14(10)17)21(8)15(22)9-6-13(25-7-9)24-16(18,19)20/h3-7H,1-2H3
InChIKeyPBAKJJISEVZXMG-UHFFFAOYSA-N
MW389.78 g/mol
LogP5.26
Rot. Bonds3

About (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone

(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone (PubChem CID 141206554) has the molecular formula C16H11ClF3NO3S and a molecular weight of 389.78 g/mol. Its IUPAC name is (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone
PubChem CID141206554
Molecular FormulaC16H11ClF3NO3S
Molecular Weight389.78 g/mol
Exact Mass389.01
IUPAC Name(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone
SMILESCOc1ccc2c(cc(C)n2C(=O)c2csc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C16H11ClF3NO3S/c1-8-5-10-11(3-4-12(23-2)14(10)17)21(8)15(22)9-6-13(25-7-9)24-16(18,19)20/h3-7H,1-2H3
InChIKeyPBAKJJISEVZXMG-UHFFFAOYSA-N
XLogP5.26
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.78
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone with MolForge

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Related Compounds

2-[6-chloro-5-methoxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 11554156
methyl 4-chloro-2-methyl-5-[(2-methylpropan-2-yl)oxy]indole-1-carboxylate
CID 134573234
2-[4-chloro-5-hydroxy-2-methyl-1-[5-(trifluoromethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 67244110
(4-chloro-5-hydroxy-2-methylindol-1-yl)-[5-(difluoromethylsulfanyl)thiophen-3-yl]methanone
CID 141206635
2-[4-chloro-1-[5-(difluoromethoxy)thiophene-3-carbonyl]-5-methoxy-2-methylindol-3-yl]acetic acid
CID 67244336
(4-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone
CID 141206552
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
[5-methoxy-2,4-dimethyl-1-[4-(trifluoromethoxy)benzoyl]indol-3-yl] acetate
CID 173186496
(6-fluoro-5-hydroxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-2-yl]methanone
CID 141206613
2-[6-chloro-5-hydroxy-2-methyl-1-[5-(1,1,2,2-tetrafluoroethoxy)thiophene-3-carbonyl]indol-3-yl]acetic acid
CID 18453768
[5-amino-2-(trifluoromethyl)indol-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 112534167
2-[4-chloro-5-methoxy-2-methyl-1-[5-(1,1,2,2,2-pentafluoroethoxy)thiophene-2-carbonyl]indol-3-yl]acetic acid
CID 87322591

Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone?
The IUPAC name of (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone (CID 141206554) is (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone.
What is the SMILES notation for (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone?
The canonical SMILES for (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone is COc1ccc2c(cc(C)n2C(=O)c2csc(OC(F)(F)F)c2)c1Cl.
What is the InChIKey of (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone?
The InChIKey is PBAKJJISEVZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO3S/c1-8-5-10-11(3-4-12(23-2)14(10)17)21(8)15(22)9-6-13(25-7-9)24-16(18,19)20/h3-7H,1-2H3.
What are the key properties of (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone?
(4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone has a molecular weight of 389.78 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methoxy-2-methylindol-1-yl)-[5-(trifluoromethoxy)thiophen-3-yl]methanone is sourced from PubChem (CID 141206554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).