N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C25H25N3O4S — CID 55689090

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C25H25N3O4S/c1-18-9-10-19(2)24(13-18)33(30,31)27-12-11-25(29)28-22-7-4-8-23(15-22)32-17-21-6-3-5-20(14-21)16-26/h3-10,13-15,27H,11-12,17H2,1-2H3,(H,28,29)
InChIKeyHIXPJEWHFRVGEK-UHFFFAOYSA-N
MW463.56 g/mol
LogP4.06
Rot. Bonds9

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 55689090) has the molecular formula C25H25N3O4S and a molecular weight of 463.56 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID55689090
Molecular FormulaC25H25N3O4S
Molecular Weight463.56 g/mol
Exact Mass463.16
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1
InChIInChI=1S/C25H25N3O4S/c1-18-9-10-19(2)24(13-18)33(30,31)27-12-11-25(29)28-22-7-4-8-23(15-22)32-17-21-6-3-5-20(14-21)16-26/h3-10,13-15,27H,11-12,17H2,1-2H3,(H,28,29)
InChIKeyHIXPJEWHFRVGEK-UHFFFAOYSA-N
XLogP4.06
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-cyanophenyl)methoxy]phenyl]-2,4-dimethylbenzamide
CID 39501116
N-(3-acetylphenyl)-2-[3-[(3-cyanophenyl)methoxy]anilino]acetamide
CID 52703472
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-[4-[(2,5-dimethylphenyl)sulfonylamino]but-2-ynoxy]phenyl]acetamide
CID 90577505
3-[(2,5-dimethylphenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 8893350
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56520139
3-[(2-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)propanamide
CID 9245597
N-(3-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035241
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55689140
2-(2-chloro-6-fluorophenyl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39001170
3-(1,3-benzodioxol-5-yl)-N-[3-[(3-cyanophenyl)methoxy]phenyl]propanamide
CID 39500255
N-(4-bromo-3-methylphenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639564

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 55689090) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is HIXPJEWHFRVGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4S/c1-18-9-10-19(2)24(13-18)33(30,31)27-12-11-25(29)28-22-7-4-8-23(15-22)32-17-21-6-3-5-20(14-21)16-26/h3-10,13-15,27H,11-12,17H2,1-2H3,(H,28,29).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 463.56 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55689090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).