N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide

C20H20N4O3S — CID 167386466

IUPACN-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide
SMILESCOc1ccc(CN(c2ccnc(-c3cnccn3)c2)S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O3S/c1-27-17-4-2-15(3-5-17)14-24(28(25,26)18-6-7-18)16-8-9-22-19(12-16)20-13-21-10-11-23-20/h2-5,8-13,18H,6-7,14H2,1H3
InChIKeyDQZNKRMGEAFNPH-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.05
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide

N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide (PubChem CID 167386466) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide
PubChem CID167386466
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide
SMILESCOc1ccc(CN(c2ccnc(-c3cnccn3)c2)S(=O)(=O)C2CC2)cc1
InChIInChI=1S/C20H20N4O3S/c1-27-17-4-2-15(3-5-17)14-24(28(25,26)18-6-7-18)16-8-9-22-19(12-16)20-13-21-10-11-23-20/h2-5,8-13,18H,6-7,14H2,1H3
InChIKeyDQZNKRMGEAFNPH-UHFFFAOYSA-N
XLogP3.05
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-cyanooxan-4-yl)-4-pyridinyl]-N-[(4-methoxyphenyl)methyl]-3-methylcyclobutane-1-sulfonamide
CID 167034957
N-[4-[1-[5-(5-chloro-3-pyridinyl)-2-pyridinyl]-3-fluoro-2-oxopentan-3-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]cyclopropanesulfonamide
CID 161040408
N,N-bis[(4-methoxyphenyl)methyl]pyrazin-2-amine
CID 175520241
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
CID 118763811
2-[2-(cyclopropylsulfonylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)phenyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 139503390
4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
N-[(4-methoxyphenyl)methyl]-N-(2-methylpyrimidin-4-yl)imidazole-1-sulfonamide
CID 134262088
N-[3-chloro-4-[3-(trifluoromethoxy)phenyl]phenyl]-N-(pyridin-3-ylmethyl)cyclopropanesulfonamide
CID 68618591
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946
N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-bromo-N-[(4-methoxyphenyl)methyl]pyridin-4-amine
CID 171481716

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide (CID 167386466) is N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide is COc1ccc(CN(c2ccnc(-c3cnccn3)c2)S(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide?
The InChIKey is DQZNKRMGEAFNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-27-17-4-2-15(3-5-17)14-24(28(25,26)18-6-7-18)16-8-9-22-19(12-16)20-13-21-10-11-23-20/h2-5,8-13,18H,6-7,14H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide?
N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-(2-pyrazin-2-yl-4-pyridinyl)cyclopropanesulfonamide is sourced from PubChem (CID 167386466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).