3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide

C27H30F3N3O4S — CID 176687306

IUPAC3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCC(F)(F)F)C(C(=O)NCc2ccc(OC)cc2)c2csc(C)n2)cc1
InChIInChI=1S/C27H30F3N3O4S/c1-18-32-23(17-38-18)25(26(35)31-16-20-6-11-22(37-3)12-7-20)33(15-14-27(28,29)30)24(34)13-8-19-4-9-21(36-2)10-5-19/h4-7,9-12,17,25H,8,13-16H2,1-3H3,(H,31,35)
InChIKeyNKXBXHUUCDILCR-UHFFFAOYSA-N
MW549.62 g/mol
LogP5.24
Rot. Bonds12

About 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide

3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 176687306) has the molecular formula C27H30F3N3O4S and a molecular weight of 549.62 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID176687306
Molecular FormulaC27H30F3N3O4S
Molecular Weight549.62 g/mol
Exact Mass549.19
IUPAC Name3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
SMILESCOc1ccc(CCC(=O)N(CCC(F)(F)F)C(C(=O)NCc2ccc(OC)cc2)c2csc(C)n2)cc1
InChIInChI=1S/C27H30F3N3O4S/c1-18-32-23(17-38-18)25(26(35)31-16-20-6-11-22(37-3)12-7-20)33(15-14-27(28,29)30)24(34)13-8-19-4-9-21(36-2)10-5-19/h4-7,9-12,17,25H,8,13-16H2,1-3H3,(H,31,35)
InChIKeyNKXBXHUUCDILCR-UHFFFAOYSA-N
XLogP5.24
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.62
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(1-methylimidazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide
CID 176686602
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-3-(4-methoxyphenyl)-N-(3-methoxypropyl)propanamide
CID 176686326
2-[benzyl(3-phenylpropanoyl)amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214141
N-[2-[(4-chlorophenyl)methylamino]-1-(1-methylpyrazol-4-yl)-2-oxoethyl]-3-(4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
CID 176687209
2-(4-methoxyphenyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 108737207
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
N-[2-(benzylamino)-1-(6-methoxy-2-pyridinyl)-2-oxoethyl]-N-cyclopropyl-3-(4-methoxyphenyl)propanamide;ethane
CID 176686663
N-[2-(benzylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-butylpentanamide
CID 163134565
(2S)-2-[3-(4-tert-butylphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100621006
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
[4-[2-(benzylamino)-1-[cyclopropyl-[3-(4-methoxyphenyl)propanoyl]amino]-2-oxoethyl]phenyl] N,N-dimethylcarbamate
CID 176687317
2-[3-[4-(ethylsulfamoyl)phenyl]propanoyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 133214854

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide (CID 176687306) is 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide is COc1ccc(CCC(=O)N(CCC(F)(F)F)C(C(=O)NCc2ccc(OC)cc2)c2csc(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is NKXBXHUUCDILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O4S/c1-18-32-23(17-38-18)25(26(35)31-16-20-6-11-22(37-3)12-7-20)33(15-14-27(28,29)30)24(34)13-8-19-4-9-21(36-2)10-5-19/h4-7,9-12,17,25H,8,13-16H2,1-3H3,(H,31,35).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide?
3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 549.62 g/mol, XLogP of 5.24, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylamino]-1-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 176687306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).