4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide

C29H26F3NO2S — CID 141070094

IUPAC4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide
SMILESCc1ccc(C(=O)N(c2csc(-c3cccc(C(F)(F)F)c3)c2)C(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C29H26F3NO2S/c1-19(2)33(24-16-27(36-18-24)22-10-7-11-23(15-22)29(30,31)32)28(34)25-13-12-20(3)14-26(25)35-17-21-8-5-4-6-9-21/h4-16,18-19H,17H2,1-3H3
InChIKeyGPEAVQUNSBJQJH-UHFFFAOYSA-N
MW509.59 g/mol
LogP8.38
Rot. Bonds7

About 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide

4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide (PubChem CID 141070094) has the molecular formula C29H26F3NO2S and a molecular weight of 509.59 g/mol. Its IUPAC name is 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide
PubChem CID141070094
Molecular FormulaC29H26F3NO2S
Molecular Weight509.59 g/mol
Exact Mass509.16
IUPAC Name4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide
SMILESCc1ccc(C(=O)N(c2csc(-c3cccc(C(F)(F)F)c3)c2)C(C)C)c(OCc2ccccc2)c1
InChIInChI=1S/C29H26F3NO2S/c1-19(2)33(24-16-27(36-18-24)22-10-7-11-23(15-22)29(30,31)32)28(34)25-13-12-20(3)14-26(25)35-17-21-8-5-4-6-9-21/h4-16,18-19H,17H2,1-3H3
InChIKeyGPEAVQUNSBJQJH-UHFFFAOYSA-N
XLogP8.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide?
The IUPAC name of 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide (CID 141070094) is 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide.
What is the SMILES notation for 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide?
The canonical SMILES for 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide is Cc1ccc(C(=O)N(c2csc(-c3cccc(C(F)(F)F)c3)c2)C(C)C)c(OCc2ccccc2)c1.
What is the InChIKey of 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide?
The InChIKey is GPEAVQUNSBJQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3NO2S/c1-19(2)33(24-16-27(36-18-24)22-10-7-11-23(15-22)29(30,31)32)28(34)25-13-12-20(3)14-26(25)35-17-21-8-5-4-6-9-21/h4-16,18-19H,17H2,1-3H3.
What are the key properties of 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide?
4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide has a molecular weight of 509.59 g/mol, XLogP of 8.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenylmethoxy-N-propan-2-yl-N-[5-[3-(trifluoromethyl)phenyl]thiophen-3-yl]benzamide is sourced from PubChem (CID 141070094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).