N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline

C98H136N20O11S4 — CID 158738150

IUPACN-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline
SMILESC=C1CCc2cc(NC)ccc2N1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccnc(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(S(=O)(=O)CCO)c1.CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O3S.C12H13N3.C12H18N2O2S.C12H18N2.C11H14N2.C10H11N3.C10H16N2O2S.C9H12N2O.C9H13NO3S/c1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-9-14-7-6-12(15-9)10-4-3-5-11(8-10)13-2;1-13-11-6-5-7-12(10-11)17(15,16)14-8-3-2-4-9-14;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-8-3-4-9-7-10(12-2)5-6-11(9)13-8;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-3-2-4-9(7-8)14(12,13)6-5-11/h6-9,14H,5,10H2,1-4H3;3-8,13H,1-2H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,12-13H,1,3-4H2,2H3;2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;3-6,10H,1-2H3,(H,11,12);2-4,7,10-11H,5-6H2,1H3
InChIKeyILYFFTYAKVGDBD-UHFFFAOYSA-N
MW1898.56 g/mol
LogP15.76
Rot. Bonds26

About N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline

N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline (PubChem CID 158738150) has the molecular formula C98H136N20O11S4 and a molecular weight of 1898.56 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline
PubChem CID158738150
Molecular FormulaC98H136N20O11S4
Molecular Weight1898.56 g/mol
Exact Mass1896.96
IUPAC NameN-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline
SMILESC=C1CCc2cc(NC)ccc2N1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccnc(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(S(=O)(=O)CCO)c1.CNc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C13H21N3O3S.C12H13N3.C12H18N2O2S.C12H18N2.C11H14N2.C10H11N3.C10H16N2O2S.C9H12N2O.C9H13NO3S/c1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-9-14-7-6-12(15-9)10-4-3-5-11(8-10)13-2;1-13-11-6-5-7-12(10-11)17(15,16)14-8-3-2-4-9-14;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-8-3-4-9-7-10(12-2)5-6-11(9)13-8;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-3-2-4-9(7-8)14(12,13)6-5-11/h6-9,14H,5,10H2,1-4H3;3-8,13H,1-2H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,12-13H,1,3-4H2,2H3;2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;3-6,10H,1-2H3,(H,11,12);2-4,7,10-11H,5-6H2,1H3
InChIKeyILYFFTYAKVGDBD-UHFFFAOYSA-N
XLogP15.76
TPSA393.92 Ų
H-Bond Donors13
H-Bond Acceptors25
Rotatable Bonds26
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001898.56
LogP ≤ 515.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1025

Analyze N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline with MolForge

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Related Compounds

3-cyclohexyl-N-methylaniline;N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylsulfonylaniline
CID 158178486
N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;1-[3-(methylamino)phenyl]imidazolidin-2-one;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-[1-(methylamino)ethenyl]aniline;1-methyl-3-[3-(methylamino)phenyl]imidazolidin-2-one;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline
CID 161766595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline?
The IUPAC name of N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline (CID 158738150) is N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline?
The canonical SMILES for N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline is C=C1CCc2cc(NC)ccc2N1.CCN(C)S(=O)(=O)c1cccc(NC)c1.CCS(=O)(=O)N(CC(=O)N(C)C)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccnc(C)n2)c1.CNc1cccc(-c2cnc[nH]2)c1.CNc1cccc(N2CCCCC2)c1.CNc1cccc(S(=O)(=O)CCO)c1.CNc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline?
The InChIKey is ILYFFTYAKVGDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S.C12H13N3.C12H18N2O2S.C12H18N2.C11H14N2.C10H11N3.C10H16N2O2S.C9H12N2O.C9H13NO3S/c1-5-20(18,19)16(10-13(17)15(3)4)12-8-6-7-11(9-12)14-2;1-9-14-7-6-12(15-9)10-4-3-5-11(8-10)13-2;1-13-11-6-5-7-12(10-11)17(15,16)14-8-3-2-4-9-14;1-13-11-6-5-7-12(10-11)14-8-3-2-4-9-14;1-8-3-4-9-7-10(12-2)5-6-11(9)13-8;1-11-9-4-2-3-8(5-9)10-6-12-7-13-10;1-4-12(3)15(13,14)10-7-5-6-9(8-10)11-2;1-10-8-5-3-4-7(6-8)9(12)11-2;1-10-8-3-2-4-9(7-8)14(12,13)6-5-11/h6-9,14H,5,10H2,1-4H3;3-8,13H,1-2H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,10,13H,2-4,8-9H2,1H3;5-7,12-13H,1,3-4H2,2H3;2-7,11H,1H3,(H,12,13);5-8,11H,4H2,1-3H3;3-6,10H,1-2H3,(H,11,12);2-4,7,10-11H,5-6H2,1H3.
What are the key properties of N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline?
N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline has a molecular weight of 1898.56 g/mol, XLogP of 15.76, 26 rotatable bonds, 13 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(methylamino)benzenesulfonamide;2-[N-ethylsulfonyl-3-(methylamino)anilino]-N,N-dimethylacetamide;3-(1H-imidazol-5-yl)-N-methylaniline;2-[3-(methylamino)phenyl]sulfonylethanol;N-methyl-3-(methylamino)benzamide;N-methyl-2-methylidene-3,4-dihydro-1H-quinolin-6-amine;N-methyl-3-(2-methylpyrimidin-4-yl)aniline;N-methyl-3-piperidin-1-ylaniline;N-methyl-3-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 158738150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).