3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide

C16H21N5O3S — CID 122566280

IUPAC3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCN(C)c1cncc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H21N5O3S/c1-21(2)15-11-17-10-14(20-15)12-5-4-6-13(9-12)16(22)18-7-8-19-25(3,23)24/h4-6,9-11,19H,7-8H2,1-3H3,(H,18,22)
InChIKeyQZOIMYYIAVZEJX-UHFFFAOYSA-N
MW363.44 g/mol
LogP0.49
Rot. Bonds7

About 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide

3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide (PubChem CID 122566280) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
PubChem CID122566280
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide
SMILESCN(C)c1cncc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)n1
InChIInChI=1S/C16H21N5O3S/c1-21(2)15-11-17-10-14(20-15)12-5-4-6-13(9-12)16(22)18-7-8-19-25(3,23)24/h4-6,9-11,19H,7-8H2,1-3H3,(H,18,22)
InChIKeyQZOIMYYIAVZEJX-UHFFFAOYSA-N
XLogP0.49
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(methanesulfonamido)ethyl]-3-(6-methylpyridazin-3-yl)benzamide
CID 119065865
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
N-[2-(methanesulfonamido)ethyl]-3-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)benzamide
CID 122562480
2-[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]acetic acid
CID 155912044
N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 40718415
3-carbamothioyl-N-[2-(methanesulfonamido)ethyl]benzamide
CID 43546221
[3-[6-(dimethylamino)pyrazin-2-yl]phenyl]-[(3R)-3-hydroxy-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 125435955
3-[6-(dimethylamino)pyrazin-2-yl]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 122555880
N-[2-(dimethylamino)ethyl]-3-[6-[4-hydroxy-3-(methylamino)phenyl]pyrazin-2-yl]benzamide
CID 144980314
N-[2-(methanesulfonamido)ethyl]-1H-indole-6-carboxamide
CID 55028268
4-[6-(dimethylamino)pyrazin-2-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]benzamide
CID 122570345
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539

Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide?
The IUPAC name of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide (CID 122566280) is 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide.
What is the SMILES notation for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide?
The canonical SMILES for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide is CN(C)c1cncc(-c2cccc(C(=O)NCCNS(C)(=O)=O)c2)n1.
What is the InChIKey of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide?
The InChIKey is QZOIMYYIAVZEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-21(2)15-11-17-10-14(20-15)12-5-4-6-13(9-12)16(22)18-7-8-19-25(3,23)24/h4-6,9-11,19H,7-8H2,1-3H3,(H,18,22).
What are the key properties of 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide?
3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide has a molecular weight of 363.44 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)pyrazin-2-yl]-N-[2-(methanesulfonamido)ethyl]benzamide is sourced from PubChem (CID 122566280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).