2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

C23H28N2O3S — CID 9396258

IUPAC2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3S/c1-18(21-13-12-20-10-6-7-11-22(20)16-21)24-23(26)17-25(2)29(27,28)15-14-19-8-4-3-5-9-19/h3-5,8-9,12-16,18H,6-7,10-11,17H2,1-2H3,(H,24,26)/b15-14+/t18-/m0/s1
InChIKeyPNPPXFXJIPTGOF-JJJPLKNQSA-N
MW412.56 g/mol
LogP3.68
Rot. Bonds7

About 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (PubChem CID 9396258) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
PubChem CID9396258
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H28N2O3S/c1-18(21-13-12-20-10-6-7-11-22(20)16-21)24-23(26)17-25(2)29(27,28)15-14-19-8-4-3-5-9-19/h3-5,8-9,12-16,18H,6-7,10-11,17H2,1-2H3,(H,24,26)/b15-14+/t18-/m0/s1
InChIKeyPNPPXFXJIPTGOF-JJJPLKNQSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzenesulfonyl(methyl)amino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133186045
2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078046
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 125078024
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9429425
2-[N-(benzenesulfonyl)-2-fluoroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188084
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 125084284
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188100
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butanamide
CID 108795927
N-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]benzamide
CID 9395259
2-[N-(benzenesulfonyl)-4-bromoanilino]-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]acetamide
CID 133191956
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 133186047

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The IUPAC name of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide (CID 9396258) is 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is C[C@H](NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
The InChIKey is PNPPXFXJIPTGOF-JJJPLKNQSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-18(21-13-12-20-10-6-7-11-22(20)16-21)24-23(26)17-25(2)29(27,28)15-14-19-8-4-3-5-9-19/h3-5,8-9,12-16,18H,6-7,10-11,17H2,1-2H3,(H,24,26)/b15-14+/t18-/m0/s1.
What are the key properties of 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide?
2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide has a molecular weight of 412.56 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide is sourced from PubChem (CID 9396258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).