3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

C18H21FN2O3S — CID 113143427

IUPAC3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-10-6-5-9-16(17)19)14-12-18(22)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyXKMHTUJCPIXNHT-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.34
Rot. Bonds8

About 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide

3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (PubChem CID 113143427) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
PubChem CID113143427
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
SMILESCS(=O)(=O)N(CCC(=O)NCCc1ccccc1)c1ccccc1F
InChIInChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-10-6-5-9-16(17)19)14-12-18(22)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyXKMHTUJCPIXNHT-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide
CID 113143992
3-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 113143416
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
N-(2-phenylethyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143155
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
3-(2-fluoro-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113143477
1-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3-phenylurea
CID 113069700
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113142378
N-[2-(4-chlorophenyl)ethyl]-4-(N-methylsulfonyl-2-phenoxyanilino)butanamide
CID 100503199
3-(3,5-dimethyl-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113142379
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472
N-(3-acetylphenyl)-3-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 113143498

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide (CID 113143427) is 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is CS(=O)(=O)N(CCC(=O)NCCc1ccccc1)c1ccccc1F.
What is the InChIKey of 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
The InChIKey is XKMHTUJCPIXNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-25(23,24)21(17-10-6-5-9-16(17)19)14-12-18(22)20-13-11-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide?
3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-N-methylsulfonylanilino)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 113143427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).