2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide

C23H32N2O3S — CID 8998557

IUPAC2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCCCCc1ccc([C@@H](NCC(=O)Nc2ccccc2S(C)(=O)=O)C(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-6-9-18-12-14-19(15-13-18)23(17(2)3)24-16-22(26)25-20-10-7-8-11-21(20)29(4,27)28/h7-8,10-15,17,23-24H,5-6,9,16H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyHIQVQMIXOHUWGR-QHCPKHFHSA-N
MW416.59 g/mol
LogP4.36
Rot. Bonds10

About 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide

2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide (PubChem CID 8998557) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
PubChem CID8998557
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide
SMILESCCCCc1ccc([C@@H](NCC(=O)Nc2ccccc2S(C)(=O)=O)C(C)C)cc1
InChIInChI=1S/C23H32N2O3S/c1-5-6-9-18-12-14-19(15-13-18)23(17(2)3)24-16-22(26)25-20-10-7-8-11-21(20)29(4,27)28/h7-8,10-15,17,23-24H,5-6,9,16H2,1-4H3,(H,25,26)/t23-/m0/s1
InChIKeyHIQVQMIXOHUWGR-QHCPKHFHSA-N
XLogP4.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylsulfonylphenyl)-2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 97028049
4-[[2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]acetyl]amino]benzamide
CID 8998366
2-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]amino]-N-(3-methylsulfonylphenyl)acetamide
CID 8971206
N-(2-chloro-3-pyridinyl)-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970430
1-(4-butylphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43393753
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
N-[4-(dimethylsulfamoyl)phenyl]-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 8970456
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
1-(4-butylphenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 104518607
N-(9,10-dioxoanthracen-1-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131839

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide (CID 8998557) is 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide is CCCCc1ccc([C@@H](NCC(=O)Nc2ccccc2S(C)(=O)=O)C(C)C)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
The InChIKey is HIQVQMIXOHUWGR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-5-6-9-18-12-14-19(15-13-18)23(17(2)3)24-16-22(26)25-20-10-7-8-11-21(20)29(4,27)28/h7-8,10-15,17,23-24H,5-6,9,16H2,1-4H3,(H,25,26)/t23-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide?
2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide has a molecular weight of 416.59 g/mol, XLogP of 4.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-butylphenyl)-2-methylpropyl]amino]-N-(2-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 8998557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).