N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide

C15H18N4O3S — CID 55683377

IUPACN-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H18N4O3S/c1-18(11-13-5-8-16-9-6-13)15(20)12-19(2)23(21,22)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3
InChIKeyHMRIQOACNJOMFN-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.76
Rot. Bonds6

About N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide

N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 55683377) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID55683377
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC NameN-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C15H18N4O3S/c1-18(11-13-5-8-16-9-6-13)15(20)12-19(2)23(21,22)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3
InChIKeyHMRIQOACNJOMFN-UHFFFAOYSA-N
XLogP0.76
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 55683377) is N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide is CN(Cc1ccncc1)C(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is HMRIQOACNJOMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-18(11-13-5-8-16-9-6-13)15(20)12-19(2)23(21,22)14-4-3-7-17-10-14/h3-10H,11-12H2,1-2H3.
What are the key properties of N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 334.40 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 55683377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).