N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C20H16F3N5O5S — CID 1040639

IUPACN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N5O5S/c1-33-18-16(24-10-11-25-18)28-34(31,32)15-8-6-13(7-9-15)26-17(29)12-2-4-14(5-3-12)27-19(30)20(21,22)23/h2-11H,1H3,(H,24,28)(H,26,29)(H,27,30)
InChIKeyBSVVBBLOMLSNDZ-UHFFFAOYSA-N
MW495.44 g/mol
LogP3.04
Rot. Bonds7

About N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide

N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 1040639) has the molecular formula C20H16F3N5O5S and a molecular weight of 495.44 g/mol. Its IUPAC name is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID1040639
Molecular FormulaC20H16F3N5O5S
Molecular Weight495.44 g/mol
Exact Mass495.08
IUPAC NameN-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCOc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H16F3N5O5S/c1-33-18-16(24-10-11-25-18)28-34(31,32)15-8-6-13(7-9-15)26-17(29)12-2-4-14(5-3-12)27-19(30)20(21,22)23/h2-11H,1H3,(H,24,28)(H,26,29)(H,27,30)
InChIKeyBSVVBBLOMLSNDZ-UHFFFAOYSA-N
XLogP3.04
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.44
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]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-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-propan-2-ylbenzamide
CID 54783017
4-[bis(2-chloroethyl)sulfamoyl]-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 86809401
1-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 3424492
2-methoxy-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 3563880
2-chloro-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]benzamide
CID 22693790
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 54783087
2-cyano-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]acetamide
CID 168520143
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-4-nitrobenzamide
CID 54783138
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-propoxybenzamide
CID 54782935
N-[[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]carbamothioyl]-2-methylpropanamide
CID 54783157
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-2-phenoxyacetamide
CID 54782625
4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide
CID 170923254

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 1040639) is N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide is COc1nccnc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is BSVVBBLOMLSNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O5S/c1-33-18-16(24-10-11-25-18)28-34(31,32)15-8-6-13(7-9-15)26-17(29)12-2-4-14(5-3-12)27-19(30)20(21,22)23/h2-11H,1H3,(H,24,28)(H,26,29)(H,27,30).
What are the key properties of N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 495.44 g/mol, XLogP of 3.04, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 1040639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).