N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide

C25H32N4O4S — CID 70285202

IUPACN-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-28-15-17-29(18-16-28)25(31)26-20-24(30)27-22(13-12-21-8-4-2-5-9-21)14-19-34(32,33)23-10-6-3-7-11-23/h2-11,14,19,22H,12-13,15-18,20H2,1H3,(H,26,31)(H,27,30)/b19-14+/t22-/m0/s1
InChIKeyQFXORFSYXLKWRW-SLTDHEAWSA-N
MW484.62 g/mol
LogP2.05
Rot. Bonds9

About N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide

N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 70285202) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide
PubChem CID70285202
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCC(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1
InChIInChI=1S/C25H32N4O4S/c1-28-15-17-29(18-16-28)25(31)26-20-24(30)27-22(13-12-21-8-4-2-5-9-21)14-19-34(32,33)23-10-6-3-7-11-23/h2-11,14,19,22H,12-13,15-18,20H2,1H3,(H,26,31)(H,27,30)/b19-14+/t22-/m0/s1
InChIKeyQFXORFSYXLKWRW-SLTDHEAWSA-N
XLogP2.05
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2S)-1-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-5-(diaminomethylideneamino)oxy-1-oxopentan-2-yl]-4-methylpiperazine-1-carboxamide
CID 127032976
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-[(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-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide
CID 142238893
2-amino-N-[1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]-4-methylpentanamide
CID 69271657
4-methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(E,3S)-5-phenyl-1-(phenylmethoxysulfamoyl)pent-1-en-3-yl]amino]propan-2-yl]piperazine-1-carboxamide
CID 10348912
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
4-methyl-N-[(2S)-1-oxo-3-phenyl-1-[[(E,3S)-5-phenyl-1-pyrimidin-2-ylpent-1-en-3-yl]amino]propan-2-yl]piperazine-1-carboxamide
CID 155522309
2-amino-N-[4-(benzenesulfonyl)-1-phenylbut-3-en-2-yl]acetamide;hydrochloride
CID 70065138
tert-butyl (1S,3S)-3-[[(E)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]carbamoyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CID 70064421

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide (CID 70285202) is N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCC(=O)N[C@H](/C=C/S(=O)(=O)c2ccccc2)CCc2ccccc2)CC1.
What is the InChIKey of N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is QFXORFSYXLKWRW-SLTDHEAWSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-28-15-17-29(18-16-28)25(31)26-20-24(30)27-22(13-12-21-8-4-2-5-9-21)14-19-34(32,33)23-10-6-3-7-11-23/h2-11,14,19,22H,12-13,15-18,20H2,1H3,(H,26,31)(H,27,30)/b19-14+/t22-/m0/s1.
What are the key properties of N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide?
N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 484.62 g/mol, XLogP of 2.05, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E,3S)-1-(benzenesulfonyl)-5-phenylpent-1-en-3-yl]amino]-2-oxoethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 70285202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).