2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide

C20H26N2O3S — CID 100526389

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-10-11-16(2)19(12-15)17(3)21-20(23)14-22(26(4,24)25)13-18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyWMODWPNNDXTFLT-QGZVFWFLSA-N
MW374.51 g/mol
LogP2.94
Rot. Bonds7

About 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide (PubChem CID 100526389) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
PubChem CID100526389
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-15-10-11-16(2)19(12-15)17(3)21-20(23)14-22(26(4,24)25)13-18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)/t17-/m1/s1
InChIKeyWMODWPNNDXTFLT-QGZVFWFLSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401307
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 125063705
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[(4-fluorophenyl)methyl-methylsulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 43906283
2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133184431
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-(2-chloro-N-methylsulfonylanilino)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 30219526
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[N-(benzenesulfonyl)-3-methylanilino]-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43891906

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide (CID 100526389) is 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide is Cc1ccc(C)c([C@@H](C)NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide?
The InChIKey is WMODWPNNDXTFLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-10-11-16(2)19(12-15)17(3)21-20(23)14-22(26(4,24)25)13-18-8-6-5-7-9-18/h5-12,17H,13-14H2,1-4H3,(H,21,23)/t17-/m1/s1.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 100526389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).