2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide

C26H29FN2O3S — CID 69043321

IUPAC2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C26H29FN2O3S/c1-19-18-22(13-16-24(19)27)29(25(26(30)28-2)21-9-5-4-6-10-21)17-7-8-20-11-14-23(15-12-20)33(3,31)32/h4-6,9-16,18,25H,7-8,17H2,1-3H3,(H,28,30)
InChIKeyRDXJNWQCYVPWJP-UHFFFAOYSA-N
MW468.59 g/mol
LogP4.46
Rot. Bonds9

About 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide

2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide (PubChem CID 69043321) has the molecular formula C26H29FN2O3S and a molecular weight of 468.59 g/mol. Its IUPAC name is 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
PubChem CID69043321
Molecular FormulaC26H29FN2O3S
Molecular Weight468.59 g/mol
Exact Mass468.19
IUPAC Name2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
SMILESCNC(=O)C(c1ccccc1)N(CCCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(C)c1
InChIInChI=1S/C26H29FN2O3S/c1-19-18-22(13-16-24(19)27)29(25(26(30)28-2)21-9-5-4-6-10-21)17-7-8-20-11-14-23(15-12-20)33(3,31)32/h4-6,9-16,18,25H,7-8,17H2,1-3H3,(H,28,30)
InChIKeyRDXJNWQCYVPWJP-UHFFFAOYSA-N
XLogP4.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.59
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-fluoro-N-[3-(2-fluorophenyl)propyl]-3-methylanilino]-N-methyl-2-phenylacetamide
CID 69041041
2-[3,4-dimethyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041685
(2S)-2-[4-chloro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041144
2-[4-chloro-N-[3-(4-methoxyphenyl)propyl]anilino]-N-methyl-2-phenylacetamide
CID 69039817
N-methyl-2-[4-methyl-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-phenylacetamide
CID 69039769
(2R)-N-(cyclopropylmethyl)-2-[4-fluoro-3-methyl-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-phenylacetamide
CID 69039839
(2S)-2-[2-fluoro-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69044596
(2R)-2-[3,4-dimethoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-N-methyl-2-phenylacetamide
CID 69041629
(2R)-2-[N-[3-(2-hydroxyphenyl)propyl]-3,4-dimethoxyanilino]-N-methyl-2-phenylacetamide
CID 69042296
(2R)-2-[3,4-dimethoxy-N-[3-[4-(trifluoromethyl)phenyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69043156
4-(3,4-difluoro-N-methylsulfonylanilino)-N-[1-(methylamino)-1-oxopropan-2-yl]-N-(2-phenylethyl)butanamide
CID 132677272
(2S)-2-[4-chloro-3-methoxy-N-[3-[6-(trifluoromethyl)-3-pyridinyl]propyl]anilino]-2-(4-fluorophenyl)-N-methylacetamide
CID 69039826

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The IUPAC name of 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide (CID 69043321) is 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The canonical SMILES for 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide is CNC(=O)C(c1ccccc1)N(CCCc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(C)c1.
What is the InChIKey of 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
The InChIKey is RDXJNWQCYVPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O3S/c1-19-18-22(13-16-24(19)27)29(25(26(30)28-2)21-9-5-4-6-10-21)17-7-8-20-11-14-23(15-12-20)33(3,31)32/h4-6,9-16,18,25H,7-8,17H2,1-3H3,(H,28,30).
What are the key properties of 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide?
2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide has a molecular weight of 468.59 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-methyl-N-[3-(4-methylsulfonylphenyl)propyl]anilino]-N-methyl-2-phenylacetamide is sourced from PubChem (CID 69043321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).