2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide

C20H26N2O3S — CID 55552669

IUPAC2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(3)16(2)18-10-12-19(13-11-18)26(4,24)25/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyAOJUCPNUTLFUOJ-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.96
Rot. Bonds7

About 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide

2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide (PubChem CID 55552669) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
PubChem CID55552669
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C20H26N2O3S/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(3)16(2)18-10-12-19(13-11-18)26(4,24)25/h5-13,15-16H,14H2,1-4H3,(H,21,23)
InChIKeyAOJUCPNUTLFUOJ-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-[1-(4-methylsulfonylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55567017
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[methyl(methylsulfonyl)amino]-N-[(1S)-1-phenylethyl]acetamide
CID 30464380
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
2-(N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30210835
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30223744
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165585
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30176390
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43078004
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 30219626
2-[methylsulfonyl(naphthalen-1-yl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 43896263
N-(furan-2-ylmethyl)-2-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]acetamide
CID 95594368

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide (CID 55552669) is 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide is CC(NC(=O)CN(C)C(C)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide?
The InChIKey is AOJUCPNUTLFUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(17-8-6-5-7-9-17)21-20(23)14-22(3)16(2)18-10-12-19(13-11-18)26(4,24)25/h5-13,15-16H,14H2,1-4H3,(H,21,23).
What are the key properties of 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide?
2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(4-methylsulfonylphenyl)ethyl]amino]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 55552669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).