N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide

C14H20N2O3S — CID 113147870

IUPACN-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-15(10-12-6-4-3-5-7-12)14(17)11-16(13-8-9-13)20(2,18)19/h3-7,13H,8-11H2,1-2H3
InChIKeyNBQZKLWLIKKSCQ-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.07
Rot. Bonds6

About N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide

N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide (PubChem CID 113147870) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
PubChem CID113147870
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(C1CC1)S(C)(=O)=O
InChIInChI=1S/C14H20N2O3S/c1-15(10-12-6-4-3-5-7-12)14(17)11-16(13-8-9-13)20(2,18)19/h3-7,13H,8-11H2,1-2H3
InChIKeyNBQZKLWLIKKSCQ-UHFFFAOYSA-N
XLogP1.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[(1,1-dioxothiolan-3-yl)-methylsulfonylamino]-N-methylacetamide
CID 113152361
N-benzyl-N-methyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464576
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
N-benzyl-N-methyl-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
CID 7326582
N-benzyl-N-methyl-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148459
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-benzyl-N-methyl-2-[methylsulfonyl(oxolan-2-ylmethyl)amino]acetamide
CID 113149620
N-benzyl-2-(4-chloro-N-methylsulfonylanilino)-N-methylacetamide
CID 30168789
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
2-[azetidin-3-yl(ethyl)amino]-N-benzyl-N-methylacetamide
CID 66181525
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
2-[benzyl(methylsulfonyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 113150439

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide (CID 113147870) is N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(C1CC1)S(C)(=O)=O.
What is the InChIKey of N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide?
The InChIKey is NBQZKLWLIKKSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15(10-12-6-4-3-5-7-12)14(17)11-16(13-8-9-13)20(2,18)19/h3-7,13H,8-11H2,1-2H3.
What are the key properties of N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide?
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide has a molecular weight of 296.39 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-methylacetamide is sourced from PubChem (CID 113147870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).