(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol

C26H40N2O4S — CID 42628444

IUPAC(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)CC(C)C
InChIInChI=1S/C26H40N2O4S/c1-21(2)15-25(19-29)27(17-23-11-7-5-8-12-23)33(31,32)28(26(20-30)16-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22,25-26,29-30H,15-20H2,1-4H3/t25-,26+
InChIKeyBMDCDMXUEFRMGO-WMPKNSHKSA-N
MW476.68 g/mol
LogP4.05
Rot. Bonds14

About (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol

(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol (PubChem CID 42628444) has the molecular formula C26H40N2O4S and a molecular weight of 476.68 g/mol. Its IUPAC name is (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
PubChem CID42628444
Molecular FormulaC26H40N2O4S
Molecular Weight476.68 g/mol
Exact Mass476.27
IUPAC Name(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol
SMILESCC(C)C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)CC(C)C
InChIInChI=1S/C26H40N2O4S/c1-21(2)15-25(19-29)27(17-23-11-7-5-8-12-23)33(31,32)28(26(20-30)16-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22,25-26,29-30H,15-20H2,1-4H3/t25-,26+
InChIKeyBMDCDMXUEFRMGO-WMPKNSHKSA-N
XLogP4.05
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.68
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol 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 (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol?
The IUPAC name of (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol (CID 42628444) is (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol.
What is the SMILES notation for (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol?
The canonical SMILES for (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol is CC(C)C[C@@H](CO)N(Cc1ccccc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](CO)CC(C)C.
What is the InChIKey of (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol?
The InChIKey is BMDCDMXUEFRMGO-WMPKNSHKSA-N. The full InChI is InChI=1S/C26H40N2O4S/c1-21(2)15-25(19-29)27(17-23-11-7-5-8-12-23)33(31,32)28(26(20-30)16-22(3)4)18-24-13-9-6-10-14-24/h5-14,21-22,25-26,29-30H,15-20H2,1-4H3/t25-,26+.
What are the key properties of (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol?
(2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol has a molecular weight of 476.68 g/mol, XLogP of 4.05, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[benzyl-[benzyl-[(2R)-1-hydroxy-4-methylpentan-2-yl]sulfamoyl]amino]-4-methylpentan-1-ol is sourced from PubChem (CID 42628444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).