N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

C24H34N2O4S — CID 143154323

IUPACN-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESC/C=C(/CNC(=O)C(O)C(O)C(=O)N1CCCC1)S/C=C(\C)Cc1ccccc1CC
InChIInChI=1S/C24H34N2O4S/c1-4-18-10-6-7-11-19(18)14-17(3)16-31-20(5-2)15-25-23(29)21(27)22(28)24(30)26-12-8-9-13-26/h5-7,10-11,16,21-22,27-28H,4,8-9,12-15H2,1-3H3,(H,25,29)/b17-16+,20-5-
InChIKeyMZYXMDDACVYVQE-WMKMTWTFSA-N
MW446.61 g/mol
LogP2.79
Rot. Bonds10

About N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide

N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (PubChem CID 143154323) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
PubChem CID143154323
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC NameN-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide
SMILESC/C=C(/CNC(=O)C(O)C(O)C(=O)N1CCCC1)S/C=C(\C)Cc1ccccc1CC
InChIInChI=1S/C24H34N2O4S/c1-4-18-10-6-7-11-19(18)14-17(3)16-31-20(5-2)15-25-23(29)21(27)22(28)24(30)26-12-8-9-13-26/h5-7,10-11,16,21-22,27-28H,4,8-9,12-15H2,1-3H3,(H,25,29)/b17-16+,20-5-
InChIKeyMZYXMDDACVYVQE-WMKMTWTFSA-N
XLogP2.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroxy-4-oxo-4-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)butanamide
CID 143155083
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
(2R,3R)-N-ethyl-2,3-dihydroxy-4-(4-naphthalen-1-ylpiperazin-1-yl)-4-oxobutanamide
CID 143478474
(2R,3R)-2,3-dihydroxy-N-[[5-(2-hydroxyphenyl)-6-methoxy-2-pyridinyl]methyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 70329666
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
2-[(2-ethoxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115591500
(E,2R)-5-(benzylamino)-2,4-dimethyl-1-pyrrolidin-1-ylpent-3-en-1-one
CID 53470474
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
N-[[4-[(2E,4Z)-3-chloro-2-ethenylhexa-2,4-dienyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;1-phenylpiperazine
CID 143153979
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[2-(2-ethylanilino)-2-oxoethyl]-1-(2-methylpropanoyl)piperidine-3-carboxamide
CID 43066089

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide (CID 143154323) is N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is C/C=C(/CNC(=O)C(O)C(O)C(=O)N1CCCC1)S/C=C(\C)Cc1ccccc1CC.
What is the InChIKey of N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
The InChIKey is MZYXMDDACVYVQE-WMKMTWTFSA-N. The full InChI is InChI=1S/C24H34N2O4S/c1-4-18-10-6-7-11-19(18)14-17(3)16-31-20(5-2)15-25-23(29)21(27)22(28)24(30)26-12-8-9-13-26/h5-7,10-11,16,21-22,27-28H,4,8-9,12-15H2,1-3H3,(H,25,29)/b17-16+,20-5-.
What are the key properties of N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide?
N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide has a molecular weight of 446.61 g/mol, XLogP of 2.79, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[(E)-3-(2-ethylphenyl)-2-methylprop-1-enyl]sulfanylbut-2-enyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 143154323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).