(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide

C20H24N2O3S — CID 10384666

IUPAC(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(21)20(23)22-18(13-12-17-8-4-2-5-9-17)14-15-26(24,25)19-10-6-3-7-11-19/h2-11,14-16,18H,12-13,21H2,1H3,(H,22,23)/b15-14+/t16-,18-/m0/s1
InChIKeyPEGWSSHEIIFLNB-YARQWZEPSA-N
MW372.49 g/mol
LogP2.44
Rot. Bonds8

About (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide

(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide (PubChem CID 10384666) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide
PubChem CID10384666
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide
SMILESC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1
InChIInChI=1S/C20H24N2O3S/c1-16(21)20(23)22-18(13-12-17-8-4-2-5-9-17)14-15-26(24,25)19-10-6-3-7-11-19/h2-11,14-16,18H,12-13,21H2,1H3,(H,22,23)/b15-14+/t16-,18-/m0/s1
InChIKeyPEGWSSHEIIFLNB-YARQWZEPSA-N
XLogP2.44
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-2-phenylsulfanylacetamide
CID 2889950
Ac-hPhe-Leu-Phe-LeuVSMe
CID 11693148
(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
CID 23643986
3-(benzylsulfonyl)-N-(2-phenylethyl)propanamide
CID 2228178
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
N-Benzyl-2-((phenylmethyl)sulfonamido)acetamide
CID 9104171
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-benzyl-2-tosylacetamide
CID 6460081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide (CID 10384666) is (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide is C[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide?
The InChIKey is PEGWSSHEIIFLNB-YARQWZEPSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-16(21)20(23)22-18(13-12-17-8-4-2-5-9-17)14-15-26(24,25)19-10-6-3-7-11-19/h2-11,14-16,18H,12-13,21H2,1H3,(H,22,23)/b15-14+/t16-,18-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide?
(2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide has a molecular weight of 372.49 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]propanamide is sourced from PubChem (CID 10384666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).