[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid

C24H29N3O5S2 — CID 66832326

IUPAC[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1cncs1)C(=O)O
InChIInChI=1S/C24H29N3O5S2/c1-34(31,32)26-20(12-18-8-4-2-5-9-18)14-23(28)22(13-19-10-6-3-7-11-19)27(24(29)30)16-21-15-25-17-33-21/h2-11,15,17,20,22-23,26,28H,12-14,16H2,1H3,(H,29,30)/t20-,22-,23+/m0/s1
InChIKeyZEJJIZYHVFKGNN-ACIOBRDBSA-N
MW503.65 g/mol
LogP3.15
Rot. Bonds12

About [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid

[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid (PubChem CID 66832326) has the molecular formula C24H29N3O5S2 and a molecular weight of 503.65 g/mol. Its IUPAC name is [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid.

Molecular Properties

Compound Name[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid
PubChem CID66832326
Molecular FormulaC24H29N3O5S2
Molecular Weight503.65 g/mol
Exact Mass503.15
IUPAC Name[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid
SMILESCS(=O)(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1cncs1)C(=O)O
InChIInChI=1S/C24H29N3O5S2/c1-34(31,32)26-20(12-18-8-4-2-5-9-18)14-23(28)22(13-19-10-6-3-7-11-19)27(24(29)30)16-21-15-25-17-33-21/h2-11,15,17,20,22-23,26,28H,12-14,16H2,1H3,(H,29,30)/t20-,22-,23+/m0/s1
InChIKeyZEJJIZYHVFKGNN-ACIOBRDBSA-N
XLogP3.15
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid 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,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid?
The IUPAC name of [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid (CID 66832326) is [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid.
What is the SMILES notation for [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid?
The canonical SMILES for [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid is CS(=O)(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)N(Cc1cncs1)C(=O)O.
What is the InChIKey of [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid?
The InChIKey is ZEJJIZYHVFKGNN-ACIOBRDBSA-N. The full InChI is InChI=1S/C24H29N3O5S2/c1-34(31,32)26-20(12-18-8-4-2-5-9-18)14-23(28)22(13-19-10-6-3-7-11-19)27(24(29)30)16-21-15-25-17-33-21/h2-11,15,17,20,22-23,26,28H,12-14,16H2,1H3,(H,29,30)/t20-,22-,23+/m0/s1.
What are the key properties of [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid?
[(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid has a molecular weight of 503.65 g/mol, XLogP of 3.15, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-3-hydroxy-5-(methanesulfonamido)-1,6-diphenylhexan-2-yl]-(1,3-thiazol-5-ylmethyl)carbamic acid is sourced from PubChem (CID 66832326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).