3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane

C26H36N8O11S2 — CID 158082172

IUPAC3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane
SMILESC.CN(C)C(=O)c1cccc(N)c1O.COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O.COC1=NS(=O)(=O)N=C1OC
InChIInChI=1S/C12H14N4O5S.C9H12N2O2.C4H6N2O4S.CH4/c1-16(2)12(18)7-5-4-6-8(9(7)17)13-10-11(21-3)15-22(19,20)14-10;1-11(2)9(13)6-4-3-5-7(10)8(6)12;1-9-3-4(10-2)6-11(7,8)5-3;/h4-6,17H,1-3H3,(H,13,14);3-5,12H,10H2,1-2H3;1-2H3;1H4
InChIKeyFNBWTHHCAMGCEC-UHFFFAOYSA-N
MW700.75 g/mol
LogP0.85
Rot. Bonds3

About 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane

3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane (PubChem CID 158082172) has the molecular formula C26H36N8O11S2 and a molecular weight of 700.75 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane.

Molecular Properties

Compound Name3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane
PubChem CID158082172
Molecular FormulaC26H36N8O11S2
Molecular Weight700.75 g/mol
Exact Mass700.19
IUPAC Name3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane
SMILESC.CN(C)C(=O)c1cccc(N)c1O.COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O.COC1=NS(=O)(=O)N=C1OC
InChIInChI=1S/C12H14N4O5S.C9H12N2O2.C4H6N2O4S.CH4/c1-16(2)12(18)7-5-4-6-8(9(7)17)13-10-11(21-3)15-22(19,20)14-10;1-11(2)9(13)6-4-3-5-7(10)8(6)12;1-9-3-4(10-2)6-11(7,8)5-3;/h4-6,17H,1-3H3,(H,13,14);3-5,12H,10H2,1-2H3;1-2H3;1H4
InChIKeyFNBWTHHCAMGCEC-UHFFFAOYSA-N
XLogP0.85
TPSA264.54 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.75
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]benzoyl]-methylamino]acetate
CID 136594816
3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxycyclobut-3-ene-1,2-dione;2-hydroxy-3-[(2-methoxy-3,4-dioxocyclobuten-1-yl)amino]-N,N-dimethylbenzamide
CID 160573719
3-[(4-amino-1-oxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 136594862
3-[(4-benzylimino-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 136594738
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
2-hydroxy-N,N-dimethyl-3-[[4-[(5-methylfuran-2-yl)methylimino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]benzamide
CID 142883388
3-[[4-[(4-ethylfuran-2-yl)methylimino]-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 136594740
3-[[4-[(1R)-1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl]imino-1,1-dioxo-1,2,5-thiadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 135405057
3-[[4-(2-bromoanilino)-1,2,5-oxadiazol-3-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 135458341
3-[(4-chloro-1-methyl-2,5-dioxopyrrol-3-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20795719
2-hydroxy-N,N-dimethyl-3-[[4-[[(1R)-1-(5-methylfuran-2-yl)propyl]amino]-1,1-dioxo-1,2-thiazol-3-yl]amino]benzamide
CID 58597672

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane?
The IUPAC name of 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane (CID 158082172) is 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane.
What is the SMILES notation for 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane?
The canonical SMILES for 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane is C.CN(C)C(=O)c1cccc(N)c1O.COC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O.COC1=NS(=O)(=O)N=C1OC.
What is the InChIKey of 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane?
The InChIKey is FNBWTHHCAMGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O5S.C9H12N2O2.C4H6N2O4S.CH4/c1-16(2)12(18)7-5-4-6-8(9(7)17)13-10-11(21-3)15-22(19,20)14-10;1-11(2)9(13)6-4-3-5-7(10)8(6)12;1-9-3-4(10-2)6-11(7,8)5-3;/h4-6,17H,1-3H3,(H,13,14);3-5,12H,10H2,1-2H3;1-2H3;1H4.
What are the key properties of 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane?
3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane has a molecular weight of 700.75 g/mol, XLogP of 0.85, 3 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N,N-dimethylbenzamide;3,4-dimethoxy-1,2,5-thiadiazole 1,1-dioxide;2-hydroxy-3-[(4-methoxy-1,1-dioxo-1,2,5-thiadiazol-3-yl)amino]-N,N-dimethylbenzamide;methane is sourced from PubChem (CID 158082172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).