(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine

C28H40N2O2S — CID 42628443

IUPAC(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine
SMILESC=C[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C=C)CC(C)C
InChIInChI=1S/C28H40N2O2S/c1-7-27(19-23(3)4)29(21-25-15-11-9-12-16-25)33(31,32)30(28(8-2)20-24(5)6)22-26-17-13-10-14-18-26/h7-18,23-24,27-28H,1-2,19-22H2,3-6H3/t27-,28+
InChIKeyXWZNQSCZUUWKDO-HNRBIFIRSA-N
MW468.71 g/mol
LogP6.44
Rot. Bonds14

About (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine

(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine (PubChem CID 42628443) has the molecular formula C28H40N2O2S and a molecular weight of 468.71 g/mol. Its IUPAC name is (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine
PubChem CID42628443
Molecular FormulaC28H40N2O2S
Molecular Weight468.71 g/mol
Exact Mass468.28
IUPAC Name(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine
SMILESC=C[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C=C)CC(C)C
InChIInChI=1S/C28H40N2O2S/c1-7-27(19-23(3)4)29(21-25-15-11-9-12-16-25)33(31,32)30(28(8-2)20-24(5)6)22-26-17-13-10-14-18-26/h7-18,23-24,27-28H,1-2,19-22H2,3-6H3/t27-,28+
InChIKeyXWZNQSCZUUWKDO-HNRBIFIRSA-N
XLogP6.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.71
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine?
The IUPAC name of (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine (CID 42628443) is (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine.
What is the SMILES notation for (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine?
The canonical SMILES for (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine is C=C[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C=C)CC(C)C.
What is the InChIKey of (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine?
The InChIKey is XWZNQSCZUUWKDO-HNRBIFIRSA-N. The full InChI is InChI=1S/C28H40N2O2S/c1-7-27(19-23(3)4)29(21-25-15-11-9-12-16-25)33(31,32)30(28(8-2)20-24(5)6)22-26-17-13-10-14-18-26/h7-18,23-24,27-28H,1-2,19-22H2,3-6H3/t27-,28+.
What are the key properties of (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine?
(3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine has a molecular weight of 468.71 g/mol, XLogP of 6.44, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzyl-N-[benzyl-[(3R)-5-methylhex-1-en-3-yl]sulfamoyl]-5-methylhex-1-en-3-amine is sourced from PubChem (CID 42628443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).