(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide

C18H21FN2O3S — CID 92684693

IUPAC(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(15-9-11-16(19)12-10-15)20-18(22)14(2)21(25(3,23)24)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyVALJKRNFRJIPAN-KBPBESRZSA-N
MW364.44 g/mol
LogP2.86
Rot. Bonds6

About (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide (PubChem CID 92684693) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
PubChem CID92684693
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
SMILESC[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(15-9-11-16(19)12-10-15)20-18(22)14(2)21(25(3,23)24)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)/t13-,14-/m0/s1
InChIKeyVALJKRNFRJIPAN-KBPBESRZSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-phenylethyl]propanamide
CID 40823158
(2S)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 28575427
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]propanamide
CID 94012958
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 94012957
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 28634282
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)butanamide
CID 93486268
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43905617
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-N-methylsulfonylanilino)propanamide
CID 125044125
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-[(1S)-1-phenylethyl]propanamide
CID 124549731
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 94019484
(2R)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 125044115
2-(4-ethyl-N-methylsulfonylanilino)-N-(1-phenylethyl)propanamide
CID 132656255

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide (CID 92684693) is (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide is C[C@H](NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
The InChIKey is VALJKRNFRJIPAN-KBPBESRZSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(15-9-11-16(19)12-10-15)20-18(22)14(2)21(25(3,23)24)17-7-5-4-6-8-17/h4-14H,1-3H3,(H,20,22)/t13-,14-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide?
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide has a molecular weight of 364.44 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 92684693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).