N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide

C13H20N2O3S — CID 62999124

IUPACN-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-10(2)19(17,18)14-13-8-6-5-7-12(13)9-15(4)11(3)16/h5-8,10,14H,9H2,1-4H3
InChIKeyLMKXKZDGYJMZOD-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.82
Rot. Bonds5

About N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide

N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide (PubChem CID 62999124) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
PubChem CID62999124
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide
SMILESCC(=O)N(C)Cc1ccccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H20N2O3S/c1-10(2)19(17,18)14-13-8-6-5-7-12(13)9-15(4)11(3)16/h5-8,10,14H,9H2,1-4H3
InChIKeyLMKXKZDGYJMZOD-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43782865
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
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N-[2-[[acetyl(methyl)amino]methyl]phenyl]-4-amino-2-methylbutanamide
CID 80543349
N-[[2-[(3-methoxy-2-methylpropyl)amino]phenyl]methyl]-N-methylacetamide
CID 116500960
(2R)-2-[[2-[[acetyl(methyl)amino]methyl]phenyl]carbamoylamino]-N-[(2R)-butan-2-yl]propanamide
CID 94959778
N-methyl-N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]methyl]acetamide
CID 79537724
N-[[2-(cycloheptylamino)phenyl]methyl]-N-methylacetamide
CID 43692065
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
N-methyl-N-[[2-[1-(1,3-thiazol-5-yl)ethylamino]phenyl]methyl]acetamide
CID 115916620
N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
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N-[2-[[acetyl(methyl)amino]methyl]phenyl]-6-methylpyridine-2-carboxamide
CID 39277115

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide?
The IUPAC name of N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide (CID 62999124) is N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide.
What is the SMILES notation for N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide?
The canonical SMILES for N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide is CC(=O)N(C)Cc1ccccc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide?
The InChIKey is LMKXKZDGYJMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)19(17,18)14-13-8-6-5-7-12(13)9-15(4)11(3)16/h5-8,10,14H,9H2,1-4H3.
What are the key properties of N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide?
N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(propan-2-ylsulfonylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 62999124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).