4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide

C16H20N4O4S — CID 119063323

IUPAC4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOc1nccnc1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N4O4S/c1-20(25(3,22)23)11-10-18-15(21)13-6-4-12(5-7-13)14-16(24-2)19-9-8-17-14/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyPQWLHXPCBSACIS-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.77
Rot. Bonds7

About 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide

4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide (PubChem CID 119063323) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
PubChem CID119063323
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
SMILESCOc1nccnc1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1
InChIInChI=1S/C16H20N4O4S/c1-20(25(3,22)23)11-10-18-15(21)13-6-4-12(5-7-13)14-16(24-2)19-9-8-17-14/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyPQWLHXPCBSACIS-UHFFFAOYSA-N
XLogP0.77
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 126450476
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
CID 119070803
4-(3-methoxypyrazin-2-yl)benzoic acid
CID 67257988
N-[2-[methyl(methylsulfonyl)amino]ethyl]-2-propylpyridine-4-carboxamide
CID 50980034
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
3,4-dimethoxy-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 113067429
3,4-dimethoxy-N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 110602545
4-[4-[3-[methyl(methylsulfonyl)amino]propylcarbamoyl]phenoxy]benzamide
CID 56546010
N-[2-(methanesulfonamido)ethyl]-4-[3-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118766693
3,4-dimethoxy-N-[2-[methylsulfonyl(propan-2-yl)amino]ethyl]benzamide
CID 113064982
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226
4-bromo-N-[2-[2-methoxyethyl(methylsulfonyl)amino]ethyl]benzamide
CID 113065961

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The IUPAC name of 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide (CID 119063323) is 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide.
What is the SMILES notation for 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The canonical SMILES for 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide is COc1nccnc1-c1ccc(C(=O)NCCN(C)S(C)(=O)=O)cc1.
What is the InChIKey of 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
The InChIKey is PQWLHXPCBSACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-20(25(3,22)23)11-10-18-15(21)13-6-4-12(5-7-13)14-16(24-2)19-9-8-17-14/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide?
4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide has a molecular weight of 364.43 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide is sourced from PubChem (CID 119063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).