N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide

C17H22N4O3S — CID 77082477

IUPACN,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
SMILESCc1cccnc1NCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H22N4O3S/c1-13-6-5-9-18-16(13)19-10-11-20-25(23,24)15-8-4-7-14(12-15)17(22)21(2)3/h4-9,12,20H,10-11H2,1-3H3,(H,18,19)
InChIKeyZRRIIDYWKVZMAT-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.48
Rot. Bonds7

About N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide

N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide (PubChem CID 77082477) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
PubChem CID77082477
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide
SMILESCc1cccnc1NCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C17H22N4O3S/c1-13-6-5-9-18-16(13)19-10-11-20-25(23,24)15-8-4-7-14(12-15)17(22)21(2)3/h4-9,12,20H,10-11H2,1-3H3,(H,18,19)
InChIKeyZRRIIDYWKVZMAT-UHFFFAOYSA-N
XLogP1.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(cycloheptylamino)ethylsulfamoyl]-N,N-dimethylbenzamide
CID 119987203
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
N,N-dimethyl-3-(quinolin-4-ylmethylsulfamoyl)benzamide
CID 77081152
3-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methylsulfamoyl]-N,N-dimethylbenzamide
CID 77089537
N,N-dimethyl-3-[[(2S)-2-pyridin-3-yloxypropyl]sulfamoyl]benzamide
CID 99931121
3-[(5-fluoro-2-methylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 87026306
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N,N-dimethyl-3-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994662
3-[methoxy(methyl)sulfamoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 55933893
3-(ethylsulfamoyl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55980508
N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyridine-3-sulfonamide
CID 133270380
5-(ethylsulfamoyl)-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 35033520

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide (CID 77082477) is N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide is Cc1cccnc1NCCNS(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide?
The InChIKey is ZRRIIDYWKVZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-13-6-5-9-18-16(13)19-10-11-20-25(23,24)15-8-4-7-14(12-15)17(22)21(2)3/h4-9,12,20H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide?
N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(3-methyl-2-pyridinyl)amino]ethylsulfamoyl]benzamide is sourced from PubChem (CID 77082477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).