N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide

C24H20Cl2F3NO5S — CID 157046219

IUPACN-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide
SMILESCOCC(C(=O)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20Cl2F3NO5S/c1-34-13-18(14-7-9-16(10-8-14)36(2,32)33)23(31)30-15-11-19(25)22(20(26)12-15)17-5-3-4-6-21(17)35-24(27,28)29/h3-12,18H,13H2,1-2H3,(H,30,31)
InChIKeyNADMMNVVOANQOF-UHFFFAOYSA-N
MW562.39 g/mol
LogP6.33
Rot. Bonds8

About N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide

N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide (PubChem CID 157046219) has the molecular formula C24H20Cl2F3NO5S and a molecular weight of 562.39 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide
PubChem CID157046219
Molecular FormulaC24H20Cl2F3NO5S
Molecular Weight562.39 g/mol
Exact Mass561.04
IUPAC NameN-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide
SMILESCOCC(C(=O)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C24H20Cl2F3NO5S/c1-34-13-18(14-7-9-16(10-8-14)36(2,32)33)23(31)30-15-11-19(25)22(20(26)12-15)17-5-3-4-6-21(17)35-24(27,28)29/h3-12,18H,13H2,1-2H3,(H,30,31)
InChIKeyNADMMNVVOANQOF-UHFFFAOYSA-N
XLogP6.33
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.39
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[(5-methylsulfonyl-2-pyridinyl)methyl]urea
CID 138583956
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-(5-methylsulfonyl-2-pyridinyl)urea
CID 138584039
N-[3-chloro-5-cyano-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-methylsulfonylphenyl)acetamide
CID 71284000
N-[3-chloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)propanamide
CID 71286023
1-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-[[4-(methanesulfonamido)phenyl]methyl]urea
CID 138583938
4-[[[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]-N-methylsulfonylbenzamide
CID 138583955
2-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)-3-methoxypropanamide
CID 175873363
2-(4-ethylsulfonylphenyl)-2-hydroxy-N-[3-methyl-4-[2-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 144540017
2-[4-[[[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]-3-methylphenyl]acetic acid
CID 138600520
2-[6-[[[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]carbamoylamino]methyl]-3-pyridinyl]acetic acid
CID 138583958
N-(4-methylsulfonylphenyl)-3-[(2,2,2-trifluoroethylamino)methyl]-4-[2-(trifluoromethoxy)phenyl]benzamide
CID 56836621
2-(2-chloro-4-methylsulfonylphenyl)-2-[4,6-dichloro-5-[2-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
CID 150998905

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide?
The IUPAC name of N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide (CID 157046219) is N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide?
The canonical SMILES for N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide is COCC(C(=O)Nc1cc(Cl)c(-c2ccccc2OC(F)(F)F)c(Cl)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide?
The InChIKey is NADMMNVVOANQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2F3NO5S/c1-34-13-18(14-7-9-16(10-8-14)36(2,32)33)23(31)30-15-11-19(25)22(20(26)12-15)17-5-3-4-6-21(17)35-24(27,28)29/h3-12,18H,13H2,1-2H3,(H,30,31).
What are the key properties of N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide?
N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide has a molecular weight of 562.39 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[2-(trifluoromethoxy)phenyl]phenyl]-3-methoxy-2-(4-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 157046219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).