N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide

C31H39NO2S — CID 134922780

IUPACN-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide
SMILESCCCCCC/C(=C(/CCC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C31H39NO2S/c1-4-6-7-14-20-30(28-18-12-9-13-19-28)31(15-5-2)32(25-27-16-10-8-11-17-27)35(33,34)29-23-21-26(3)22-24-29/h8-13,16-19,21-24H,4-7,14-15,20,25H2,1-3H3/b31-30+
InChIKeyRAVSAMWUWLDLJD-NVQSTNCTSA-N
MW489.73 g/mol
LogP8.37
Rot. Bonds13

About N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide

N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide (PubChem CID 134922780) has the molecular formula C31H39NO2S and a molecular weight of 489.73 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide
PubChem CID134922780
Molecular FormulaC31H39NO2S
Molecular Weight489.73 g/mol
Exact Mass489.27
IUPAC NameN-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide
SMILESCCCCCC/C(=C(/CCC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C31H39NO2S/c1-4-6-7-14-20-30(28-18-12-9-13-19-28)31(15-5-2)32(25-27-16-10-8-11-17-27)35(33,34)29-23-21-26(3)22-24-29/h8-13,16-19,21-24H,4-7,14-15,20,25H2,1-3H3/b31-30+
InChIKeyRAVSAMWUWLDLJD-NVQSTNCTSA-N
XLogP8.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N-benzyl-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboxamide
CID 43995446
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-butylacetamide
CID 126067032
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-benzyl-N-[1-(4-fluorophenyl)-3-methylbuta-1,2-dienyl]-4-methylbenzenesulfonamide
CID 71530826
N-benzyl-4-methyl-N-[(E)-2-tributylstannylethenyl]benzenesulfonamide
CID 177483616
methyl (E)-3-[benzyl-(4-methylphenyl)sulfonylamino]but-2-enoate
CID 177422417
N-benzyl-N-[(1E,3Z)-3,4-dibutyl-5-hydroxytrideca-1,3-dienyl]-4-methylbenzenesulfonamide
CID 102177718
N-(4-methylphenyl)sulfonylhexanehydrazide
CID 139038475
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide (CID 134922780) is N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide is CCCCCC/C(=C(/CCC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide?
The InChIKey is RAVSAMWUWLDLJD-NVQSTNCTSA-N. The full InChI is InChI=1S/C31H39NO2S/c1-4-6-7-14-20-30(28-18-12-9-13-19-28)31(15-5-2)32(25-27-16-10-8-11-17-27)35(33,34)29-23-21-26(3)22-24-29/h8-13,16-19,21-24H,4-7,14-15,20,25H2,1-3H3/b31-30+.
What are the key properties of N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide has a molecular weight of 489.73 g/mol, XLogP of 8.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(E)-5-phenylundec-4-en-4-yl]benzenesulfonamide is sourced from PubChem (CID 134922780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).