N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C19H24N2O3S — CID 7326582

IUPACN-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-20(15-18-11-7-4-8-12-18)19(22)16-21(25(2,23)24)14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3
InChIKeyQDDPWJJPRDVVPC-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.15
Rot. Bonds8

About N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 7326582) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID7326582
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CCc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C19H24N2O3S/c1-20(15-18-11-7-4-8-12-18)19(22)16-21(25(2,23)24)14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3
InChIKeyQDDPWJJPRDVVPC-UHFFFAOYSA-N
XLogP2.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N,N-dibenzyl-2-[benzyl(methylsulfonyl)amino]acetamide
CID 126109198
3-[methylsulfonyl(2-phenylethyl)amino]propanoic acid
CID 82326336
N-(3,4-dimethylphenyl)-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 100794874
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
CID 113147870
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 100790386
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
CID 113151832
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N-benzyl-N-methyl-3-[methylsulfonyl(pyridin-3-ylmethyl)amino]propanamide
CID 113139894

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 7326582) is N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CN(Cc1ccccc1)C(=O)CN(CCc1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is QDDPWJJPRDVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-20(15-18-11-7-4-8-12-18)19(22)16-21(25(2,23)24)14-13-17-9-5-3-6-10-17/h3-12H,13-16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 7326582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).