N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

C35H37N3O5S — CID 54326290

IUPACN-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H](C=CS(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C35H37N3O5S/c39-34(33(25-28-11-5-2-6-12-28)37-35(40)38-20-22-43-23-21-38)36-31(17-15-27-9-3-1-4-10-27)19-24-44(41,42)32-18-16-29-13-7-8-14-30(29)26-32/h1-14,16,18-19,24,26,31,33H,15,17,20-23,25H2,(H,36,39)(H,37,40)/t31-,33-/m0/s1
InChIKeySVEAPQYOUJSFNR-WEZIJMHWSA-N
MW611.76 g/mol
LogP4.90
Rot. Bonds11

About N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (PubChem CID 54326290) has the molecular formula C35H37N3O5S and a molecular weight of 611.76 g/mol. Its IUPAC name is N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
PubChem CID54326290
Molecular FormulaC35H37N3O5S
Molecular Weight611.76 g/mol
Exact Mass611.25
IUPAC NameN-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
SMILESO=C(N[C@H](C=CS(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
InChIInChI=1S/C35H37N3O5S/c39-34(33(25-28-11-5-2-6-12-28)37-35(40)38-20-22-43-23-21-38)36-31(17-15-27-9-3-1-4-10-27)19-24-44(41,42)32-18-16-29-13-7-8-14-30(29)26-32/h1-14,16,18-19,24,26,31,33H,15,17,20-23,25H2,(H,36,39)(H,37,40)/t31-,33-/m0/s1
InChIKeySVEAPQYOUJSFNR-WEZIJMHWSA-N
XLogP4.90
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.76
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[[1-(4-bromophenyl)sulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 67610205
N-[1-[[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 3505067
N-[(2S)-1-[[(3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 54528051
N-naphthalen-2-yl-N-[1-[(1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 70066516
N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-4-hydroxy-4-methyl-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 67359022
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
N-[(2S)-1-[[6-(benzylamino)-6-oxo-1-phenylhex-4-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 67610182
2-(naphthalen-2-ylamino)-N-[(E,3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]propanamide
CID 70083512
(E)-2-[(2S)-2-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]-4-phenylbutanoyl]oxyethenesulfonic acid
CID 10007591
N-[(2S)-1-[[2-amino-1-(benzenesulfonyl)-4-phenylbutyl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 70291185
N-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-5-hydroxy-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 127030542
N-[1-[[(2S)-1-(chloromethylsulfonyl)-4-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 67663447

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide (CID 54326290) is N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is O=C(N[C@H](C=CS(=O)(=O)c1ccc2ccccc2c1)CCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1.
What is the InChIKey of N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
The InChIKey is SVEAPQYOUJSFNR-WEZIJMHWSA-N. The full InChI is InChI=1S/C35H37N3O5S/c39-34(33(25-28-11-5-2-6-12-28)37-35(40)38-20-22-43-23-21-38)36-31(17-15-27-9-3-1-4-10-27)19-24-44(41,42)32-18-16-29-13-7-8-14-30(29)26-32/h1-14,16,18-19,24,26,31,33H,15,17,20-23,25H2,(H,36,39)(H,37,40)/t31-,33-/m0/s1.
What are the key properties of N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide has a molecular weight of 611.76 g/mol, XLogP of 4.90, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(3S)-1-naphthalen-2-ylsulfonyl-5-phenylpent-1-en-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 54326290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).