N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide

C21H20F2N4O4S — CID 163271090

IUPACN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)cc2)n1
InChIInChI=1S/C21H20F2N4O4S/c1-2-31-19-13-24-12-18(26-19)15-6-8-16(9-7-15)20(28)25-11-14-4-3-5-17(10-14)27-32(29,30)21(22)23/h3-10,12-13,21,27H,2,11H2,1H3,(H,25,28)
InChIKeySRUFSCMMKLNDHA-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.44
Rot. Bonds9

About N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide

N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide (PubChem CID 163271090) has the molecular formula C21H20F2N4O4S and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
PubChem CID163271090
Molecular FormulaC21H20F2N4O4S
Molecular Weight462.48 g/mol
Exact Mass462.12
IUPAC NameN-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)cc2)n1
InChIInChI=1S/C21H20F2N4O4S/c1-2-31-19-13-24-12-18(26-19)15-6-8-16(9-7-15)20(28)25-11-14-4-3-5-17(10-14)27-32(29,30)21(22)23/h3-10,12-13,21,27H,2,11H2,1H3,(H,25,28)
InChIKeySRUFSCMMKLNDHA-UHFFFAOYSA-N
XLogP3.44
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)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-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271297
N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163270971
N-[1-[3-(difluoromethylsulfonylamino)phenyl]cyclopropyl]-4-(6-ethoxypyrazin-2-yl)-2-fluorobenzamide
CID 163271277
N-[(1R)-1-[3-(difluoromethylsulfonylamino)phenyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251516
N-[(1S,2R)-1-[3-(difluoromethylsulfonylamino)phenyl]-2-morpholin-4-ylpropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251709
N-[(R)-[3-(difluoromethylsulfonylamino)phenyl]-[(2R)-1,4-dioxan-2-yl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251380
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301
6-ethoxy-N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 86849292
6-ethoxy-N-(1H-indol-5-ylmethyl)pyridine-3-carboxamide
CID 68629889
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-(propylsulfonylamino)benzamide
CID 55946962
N-[[3-[[2-(4-ethoxyphenoxy)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926398

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The IUPAC name of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide (CID 163271090) is N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide is CCOc1cncc(-c2ccc(C(=O)NCc3cccc(NS(=O)(=O)C(F)F)c3)cc2)n1.
What is the InChIKey of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
The InChIKey is SRUFSCMMKLNDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O4S/c1-2-31-19-13-24-12-18(26-19)15-6-8-16(9-7-15)20(28)25-11-14-4-3-5-17(10-14)27-32(29,30)21(22)23/h3-10,12-13,21,27H,2,11H2,1H3,(H,25,28).
What are the key properties of N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide?
N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide has a molecular weight of 462.48 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethylsulfonylamino)phenyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide is sourced from PubChem (CID 163271090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).