N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide

C23H32N2O3S — CID 97006326

IUPACN-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C23H32N2O3S/c1-15(2)18-8-10-19(11-9-18)23(16(3)4)24-14-22(26)25-21-13-20(29(6,27)28)12-7-17(21)5/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/t23-/m1/s1
InChIKeyBXLBMDFAYLQFDS-HSZRJFAPSA-N
MW416.59 g/mol
LogP4.45
Rot. Bonds8

About N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide

N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide (PubChem CID 97006326) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
PubChem CID97006326
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C
InChIInChI=1S/C23H32N2O3S/c1-15(2)18-8-10-19(11-9-18)23(16(3)4)24-14-22(26)25-21-13-20(29(6,27)28)12-7-17(21)5/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/t23-/m1/s1
InChIKeyBXLBMDFAYLQFDS-HSZRJFAPSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8923977
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132046
N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
CID 42920159
N-(2-cyanophenyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8922928
N-(2-chloro-3-pyridinyl)-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923068
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]acetamide
CID 97016636
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 60843473
5-chloro-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 43346625

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide (CID 97006326) is N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)CN[C@@H](c1ccc(C(C)C)cc1)C(C)C.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
The InChIKey is BXLBMDFAYLQFDS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-15(2)18-8-10-19(11-9-18)23(16(3)4)24-14-22(26)25-21-13-20(29(6,27)28)12-7-17(21)5/h7-13,15-16,23-24H,14H2,1-6H3,(H,25,26)/t23-/m1/s1.
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide?
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide has a molecular weight of 416.59 g/mol, XLogP of 4.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide is sourced from PubChem (CID 97006326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).