N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

C26H37NO2S — CID 11339354

IUPACN-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC[C@@H](/C=C/c1ccccc1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C26H37NO2S/c1-8-23(15-14-21-12-10-9-11-13-21)27-30(28,29)26-24(19(4)5)16-22(18(2)3)17-25(26)20(6)7/h9-20,23,27H,8H2,1-7H3/b15-14+/t23-/m0/s1
InChIKeyMXCWERAKNFKEAD-NSFRLNINSA-N
MW427.65 g/mol
LogP6.83
Rot. Bonds9

About N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (PubChem CID 11339354) has the molecular formula C26H37NO2S and a molecular weight of 427.65 g/mol. Its IUPAC name is N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
PubChem CID11339354
Molecular FormulaC26H37NO2S
Molecular Weight427.65 g/mol
Exact Mass427.25
IUPAC NameN-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
SMILESCC[C@@H](/C=C/c1ccccc1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C26H37NO2S/c1-8-23(15-14-21-12-10-9-11-13-21)27-30(28,29)26-24(19(4)5)16-22(18(2)3)17-25(26)20(6)7/h9-20,23,27H,8H2,1-7H3/b15-14+/t23-/m0/s1
InChIKeyMXCWERAKNFKEAD-NSFRLNINSA-N
XLogP6.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.65
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide with MolForge

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Related Compounds

2-[(E)-2-phenylethenyl]sulfonyl-1,3,5-tri(propan-2-yl)benzene
CID 5382407
4-nitro-N-[(E,3R)-1-phenylpent-1-en-3-yl]benzenesulfonamide
CID 139051166
N-[(1S)-2-amino-1,2-diphenylethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 90254730
N-[(4-fluorophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 134927249
N-[(2-bromophenyl)-phenylmethyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 4294652
methyl (2S,3R)-3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]pentanoate
CID 1381360
3-methyl-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]butanoic acid
CID 25036140
4-methyl-N-[(E)-1-phenylhex-1-en-3-yl]benzenesulfonamide
CID 102233869
(2S)-3-(3-cyanophenyl)-2-[[2,4,6-tri(propan-2-yl)phenyl]sulfonylamino]propanoic acid
CID 11510839
2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
CID 102406113
methyl (E,2E)-4-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]sulfonyliminobut-3-enoate
CID 46863486
2,4,6-tri(propan-2-yl)-N-(pyridin-1-ium-2-ylmethyl)benzenesulfonamide
CID 4754046

Frequently Asked Questions

What is the IUPAC name of N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The IUPAC name of N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide (CID 11339354) is N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The canonical SMILES for N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is CC[C@@H](/C=C/c1ccccc1)NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
The InChIKey is MXCWERAKNFKEAD-NSFRLNINSA-N. The full InChI is InChI=1S/C26H37NO2S/c1-8-23(15-14-21-12-10-9-11-13-21)27-30(28,29)26-24(19(4)5)16-22(18(2)3)17-25(26)20(6)7/h9-20,23,27H,8H2,1-7H3/b15-14+/t23-/m0/s1.
What are the key properties of N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide?
N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide has a molecular weight of 427.65 g/mol, XLogP of 6.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3S)-1-phenylpent-1-en-3-yl]-2,4,6-tri(propan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11339354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).