N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid

C14H23N3O7S — CID 72950545

IUPACN-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid
SMILESCCN(C)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.O=[N+]([O-])O
InChIInChI=1S/C14H22N2O4S.HNO3/c1-5-16(2)9-8-15-14(17)12-10-11(21(4,18)19)6-7-13(12)20-3;2-1(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17);(H,2,3,4)
InChIKeyNJVLVLTZZBMRKO-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.43
Rot. Bonds7

About N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid

N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid (PubChem CID 72950545) has the molecular formula C14H23N3O7S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid.

Molecular Properties

Compound NameN-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid
PubChem CID72950545
Molecular FormulaC14H23N3O7S
Molecular Weight377.42 g/mol
Exact Mass377.13
IUPAC NameN-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid
SMILESCCN(C)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.O=[N+]([O-])O
InChIInChI=1S/C14H22N2O4S.HNO3/c1-5-16(2)9-8-15-14(17)12-10-11(21(4,18)19)6-7-13(12)20-3;2-1(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17);(H,2,3,4)
InChIKeyNJVLVLTZZBMRKO-UHFFFAOYSA-N
XLogP0.43
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
3-[(2-methoxy-5-methylsulfonylbenzoyl)-methylamino]propanoic acid
CID 120687388
N-[2-(diethylamino)ethyl]-5-(methanesulfonamido)-2-methoxybenzamide
CID 12790645
N-[3-(diethylamino)propyl]-5-(ethylsulfamoyl)-2-methoxybenzamide
CID 19257901
2-methoxy-5-(methylsulfamoyl)-N-propylbenzamide
CID 27260718
N-butyl-2-methoxy-5-sulfamoylbenzamide
CID 31321939
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110761060
2-[(2-methoxy-5-methylsulfonylbenzoyl)amino]-3-methylpentanoic acid
CID 120686652
5-chloro-2-methoxy-N-[2-(4-methylsulfonylphenyl)ethyl]benzamide
CID 170994520
N-ethyl-2-methoxy-5-sulfamoylbenzamide
CID 6473438
5-chloro-N-[2-[ethyl(methyl)amino]ethyl]-2-nitrobenzamide
CID 62641303
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804

Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid?
The IUPAC name of N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid (CID 72950545) is N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid.
What is the SMILES notation for N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid?
The canonical SMILES for N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid is CCN(C)CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC.O=[N+]([O-])O.
What is the InChIKey of N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid?
The InChIKey is NJVLVLTZZBMRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.HNO3/c1-5-16(2)9-8-15-14(17)12-10-11(21(4,18)19)6-7-13(12)20-3;2-1(3)4/h6-7,10H,5,8-9H2,1-4H3,(H,15,17);(H,2,3,4).
What are the key properties of N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid?
N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid has a molecular weight of 377.42 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(methyl)amino]ethyl]-2-methoxy-5-methylsulfonylbenzamide;nitric acid is sourced from PubChem (CID 72950545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).