(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

C18H21FN2O3S — CID 99131913

IUPAC(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-13-8-4-5-9-15(13)12-20-18(22)14(2)21(25(3,23)24)17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeySPSJRAYPAFDEDU-CQSZACIVSA-N
MW364.44 g/mol
LogP2.61
Rot. Bonds6

About (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide

(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (PubChem CID 99131913) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
PubChem CID99131913
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
SMILESCc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C18H21FN2O3S/c1-13-8-4-5-9-15(13)12-20-18(22)14(2)21(25(3,23)24)17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeySPSJRAYPAFDEDU-CQSZACIVSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 53285802
(2S)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 99131849
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 53285843
2-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 53285778
(2R)-2-(3-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 99132766
N-[[4-(diethylamino)phenyl]methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 133228197
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 2973790
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 53281375
N-[3-(2-chlorophenyl)propyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 132664350
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(furan-2-yl)propyl]propanamide
CID 53285782
2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 3594757

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide (CID 99131913) is (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is Cc1ccccc1CNC(=O)[C@@H](C)N(c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
The InChIKey is SPSJRAYPAFDEDU-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-8-4-5-9-15(13)12-20-18(22)14(2)21(25(3,23)24)17-11-7-6-10-16(17)19/h4-11,14H,12H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide?
(2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluoro-N-methylsulfonylanilino)-N-[(2-methylphenyl)methyl]propanamide is sourced from PubChem (CID 99131913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).