2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide

C19H24N2O3S — CID 26008027

IUPAC2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13-5-6-14(2)18(11-13)15(3)20-12-19(22)21-16-7-9-17(10-8-16)25(4,23)24/h5-11,15,20H,12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeySSEVEFJAFPUOTC-HNNXBMFYSA-N
MW360.48 g/mol
LogP3.00
Rot. Bonds6

About 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide

2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide (PubChem CID 26008027) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide
PubChem CID26008027
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide
SMILESCc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-13-5-6-14(2)18(11-13)15(3)20-12-19(22)21-16-7-9-17(10-8-16)25(4,23)24/h5-11,15,20H,12H2,1-4H3,(H,21,22)/t15-/m0/s1
InChIKeySSEVEFJAFPUOTC-HNNXBMFYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylanilino)-N-(4-methylsulfonylphenyl)acetamide
CID 42026326
2-(2,4-dimethylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 26239246
3-[1-(2,5-dimethylphenyl)ethylamino]-N-propan-2-ylpropanamide
CID 115579678
N-(4-methylphenyl)-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetamide
CID 81367523
2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 81378691
ethyl 2-[[2-[1-(2,5-dimethylphenyl)ethylamino]acetyl]amino]benzoate
CID 17490390
N-(2-chloro-5-methylsulfonylphenyl)-2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]acetamide
CID 29116891
N-(4-methylphenyl)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9396986
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]thiourea
CID 78690468

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide (CID 26008027) is 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide is Cc1ccc(C)c([C@H](C)NCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1.
What is the InChIKey of 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
The InChIKey is SSEVEFJAFPUOTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-13-5-6-14(2)18(11-13)15(3)20-12-19(22)21-16-7-9-17(10-8-16)25(4,23)24/h5-11,15,20H,12H2,1-4H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide?
2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-N-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 26008027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).