[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate

C24H34N2O5S — CID 67616235

IUPAC[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate
SMILESCC(C)CCN([C@@H](c1ccccc1)C(O)CCOC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O5S/c1-19(2)14-16-26(32(3,29)30)23(21-12-8-5-9-13-21)22(27)15-17-31-24(28)25-18-20-10-6-4-7-11-20/h4-13,19,22-23,27H,14-18H2,1-3H3,(H,25,28)/t22?,23-/m0/s1
InChIKeyRLVPIRCKNBDZQM-WCSIJFPASA-N
MW462.61 g/mol
LogP3.71
Rot. Bonds12

About [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate

[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate (PubChem CID 67616235) has the molecular formula C24H34N2O5S and a molecular weight of 462.61 g/mol. Its IUPAC name is [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate.

Molecular Properties

Compound Name[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate
PubChem CID67616235
Molecular FormulaC24H34N2O5S
Molecular Weight462.61 g/mol
Exact Mass462.22
IUPAC Name[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate
SMILESCC(C)CCN([C@@H](c1ccccc1)C(O)CCOC(=O)NCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C24H34N2O5S/c1-19(2)14-16-26(32(3,29)30)23(21-12-8-5-9-13-21)22(27)15-17-31-24(28)25-18-20-10-6-4-7-11-20/h4-13,19,22-23,27H,14-18H2,1-3H3,(H,25,28)/t22?,23-/m0/s1
InChIKeyRLVPIRCKNBDZQM-WCSIJFPASA-N
XLogP3.71
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.61
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

3-hydroxybutyl N-benzylcarbamate
CID 142744474
N-benzyl-3-[3-methylbutyl(methylsulfonyl)amino]propanamide
CID 113141113
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150859
benzene;ethyl N-benzylcarbamate
CID 67715166
1-benzyl-3-(2-methylpropoxy)urea
CID 103829351
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[3-[benzenesulfonyl(3-methylbutyl)amino]propyl]carbamate
CID 71146142
methyl propanoate;2-methylpropyl N-benzylcarbamate
CID 67451217
(2R)-2-(3-methylbutoxycarbonylamino)oxy-4-(phenylmethoxycarbonylamino)butanoic acid
CID 170522133
N-[2-[3-methylbutyl(methylsulfonyl)amino]ethyl]benzamide
CID 113068205

Frequently Asked Questions

What is the IUPAC name of [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate?
The IUPAC name of [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate (CID 67616235) is [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate.
What is the SMILES notation for [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate?
The canonical SMILES for [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate is CC(C)CCN([C@@H](c1ccccc1)C(O)CCOC(=O)NCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate?
The InChIKey is RLVPIRCKNBDZQM-WCSIJFPASA-N. The full InChI is InChI=1S/C24H34N2O5S/c1-19(2)14-16-26(32(3,29)30)23(21-12-8-5-9-13-21)22(27)15-17-31-24(28)25-18-20-10-6-4-7-11-20/h4-13,19,22-23,27H,14-18H2,1-3H3,(H,25,28)/t22?,23-/m0/s1.
What are the key properties of [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate?
[(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate has a molecular weight of 462.61 g/mol, XLogP of 3.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-3-hydroxy-4-[3-methylbutyl(methylsulfonyl)amino]-4-phenylbutyl] N-benzylcarbamate is sourced from PubChem (CID 67616235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).