(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide

C23H36N2O4S — CID 143017076

IUPAC(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide
SMILESCN(C(=O)[C@@H](N)C1CCC(COCc2cccc(CS(C)(=O)=O)c2)CC1)C1CCC1
InChIInChI=1S/C23H36N2O4S/c1-25(21-7-4-8-21)23(26)22(24)20-11-9-17(10-12-20)14-29-15-18-5-3-6-19(13-18)16-30(2,27)28/h3,5-6,13,17,20-22H,4,7-12,14-16,24H2,1-2H3/t17?,20?,22-/m0/s1
InChIKeyLXAMRLQITVIGFC-QVHXHXEWSA-N
MW436.62 g/mol
LogP2.89
Rot. Bonds9

About (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide

(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide (PubChem CID 143017076) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide
PubChem CID143017076
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC Name(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide
SMILESCN(C(=O)[C@@H](N)C1CCC(COCc2cccc(CS(C)(=O)=O)c2)CC1)C1CCC1
InChIInChI=1S/C23H36N2O4S/c1-25(21-7-4-8-21)23(26)22(24)20-11-9-17(10-12-20)14-29-15-18-5-3-6-19(13-18)16-30(2,27)28/h3,5-6,13,17,20-22H,4,7-12,14-16,24H2,1-2H3/t17?,20?,22-/m0/s1
InChIKeyLXAMRLQITVIGFC-QVHXHXEWSA-N
XLogP2.89
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide 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-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide?
The IUPAC name of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide (CID 143017076) is (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide.
What is the SMILES notation for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide?
The canonical SMILES for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide is CN(C(=O)[C@@H](N)C1CCC(COCc2cccc(CS(C)(=O)=O)c2)CC1)C1CCC1.
What is the InChIKey of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide?
The InChIKey is LXAMRLQITVIGFC-QVHXHXEWSA-N. The full InChI is InChI=1S/C23H36N2O4S/c1-25(21-7-4-8-21)23(26)22(24)20-11-9-17(10-12-20)14-29-15-18-5-3-6-19(13-18)16-30(2,27)28/h3,5-6,13,17,20-22H,4,7-12,14-16,24H2,1-2H3/t17?,20?,22-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide?
(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide has a molecular weight of 436.62 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[[3-(methylsulfonylmethyl)phenyl]methoxymethyl]cyclohexyl]acetamide is sourced from PubChem (CID 143017076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).