4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide

C22H26N4O5S2 — CID 100795556

IUPAC4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)ccc1OC
InChIInChI=1S/C22H26N4O5S2/c1-5-10-24-33(28,29)20-12-15(7-9-19(20)31-4)21(27)25-16-11-14(6-8-18(16)30-3)17-13-32-22(23-2)26-17/h6-9,11-13,24H,5,10H2,1-4H3,(H,23,26)(H,25,27)
InChIKeyYSKWWYVWDJLRDY-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.81
Rot. Bonds10

About 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide

4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide (PubChem CID 100795556) has the molecular formula C22H26N4O5S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide
PubChem CID100795556
Molecular FormulaC22H26N4O5S2
Molecular Weight490.61 g/mol
Exact Mass490.13
IUPAC Name4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide
SMILESCCCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)ccc1OC
InChIInChI=1S/C22H26N4O5S2/c1-5-10-24-33(28,29)20-12-15(7-9-19(20)31-4)21(27)25-16-11-14(6-8-18(16)30-3)17-13-32-22(23-2)26-17/h6-9,11-13,24H,5,10H2,1-4H3,(H,23,26)(H,25,27)
InChIKeyYSKWWYVWDJLRDY-UHFFFAOYSA-N
XLogP3.81
TPSA118.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

4-methoxy-N-(2-methoxy-5-methylphenyl)-3-(propylsulfamoyl)benzamide
CID 18892416
2-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 100801615
1-(benzenesulfonyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801358
2-[(5-chloro-2-methoxyphenyl)sulfonyl-methylamino]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100799314
N-(3,5-dichlorophenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892393
3-[4-(tert-butylsulfamoyl)phenyl]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 100796451
2-[4-(diethylsulfamoyl)phenoxy]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100800918
N-(4-ethoxyphenyl)-4-methoxy-3-(propylsulfamoyl)benzamide
CID 18892408
4-ethoxy-3-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8747783
4-methoxy-N-(3-methoxyphenyl)-3-(propylsulfamoyl)benzamide
CID 18892405
1-(4-fluorobenzoyl)-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100801512
4-methoxy-N-(1-methoxypropan-2-yl)-3-(propylsulfamoyl)benzamide
CID 17017988

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide?
The IUPAC name of 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide (CID 100795556) is 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide?
The canonical SMILES for 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide is CCCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3csc(NC)n3)ccc2OC)ccc1OC.
What is the InChIKey of 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide?
The InChIKey is YSKWWYVWDJLRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S2/c1-5-10-24-33(28,29)20-12-15(7-9-19(20)31-4)21(27)25-16-11-14(6-8-18(16)30-3)17-13-32-22(23-2)26-17/h6-9,11-13,24H,5,10H2,1-4H3,(H,23,26)(H,25,27).
What are the key properties of 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide?
4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide has a molecular weight of 490.61 g/mol, XLogP of 3.81, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]-3-(propylsulfamoyl)benzamide is sourced from PubChem (CID 100795556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).