2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide

C20H26N2O3S — CID 133184431

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-4-19(18-13-9-8-10-16(18)2)21-20(23)15-22(26(3,24)25)14-17-11-6-5-7-12-17/h5-13,19H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyDFKXFHVHELCQON-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.02
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide

2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide (PubChem CID 133184431) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
PubChem CID133184431
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide
SMILESCCC(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1C
InChIInChI=1S/C20H26N2O3S/c1-4-19(18-13-9-8-10-16(18)2)21-20(23)15-22(26(3,24)25)14-17-11-6-5-7-12-17/h5-13,19H,4,14-15H2,1-3H3,(H,21,23)
InChIKeyDFKXFHVHELCQON-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(methylsulfonyl)amino]-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 133184536
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-2-[(4-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 100576420
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100732311
2-[(4-methylphenyl)methyl-methylsulfonylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]acetamide
CID 125054386
2-[benzyl(methylsulfonyl)amino]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 100526389
2-[benzyl(methylsulfonyl)amino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401307
2-[benzyl(methylsulfonyl)amino]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 133200073
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 133178675
2-[benzyl(methylsulfonyl)amino]-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 133165835
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethylphenyl)acetamide
CID 838547
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[1-(2-methylphenyl)propyl]acetamide
CID 133201717
2-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 100748225

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide (CID 133184431) is 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide is CCC(NC(=O)CN(Cc1ccccc1)S(C)(=O)=O)c1ccccc1C.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide?
The InChIKey is DFKXFHVHELCQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-19(18-13-9-8-10-16(18)2)21-20(23)15-22(26(3,24)25)14-17-11-6-5-7-12-17/h5-13,19H,4,14-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide?
2-[benzyl(methylsulfonyl)amino]-N-[1-(2-methylphenyl)propyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.02, 8 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-[1-(2-methylphenyl)propyl]acetamide is sourced from PubChem (CID 133184431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).