N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide

C24H21N3O4S — CID 39499806

IUPACN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)c1
InChIInChI=1S/C24H21N3O4S/c25-15-17-4-1-5-18(12-17)16-31-22-8-3-7-21(14-22)26-24(28)19-6-2-9-23(13-19)32(29,30)27-20-10-11-20/h1-9,12-14,20,27H,10-11,16H2,(H,26,28)
InChIKeyZPRJHNMMVBGHSS-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.83
Rot. Bonds8

About N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide

N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide (PubChem CID 39499806) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
PubChem CID39499806
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC NameN-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide
SMILESN#Cc1cccc(COc2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)c1
InChIInChI=1S/C24H21N3O4S/c25-15-17-4-1-5-18(12-17)16-31-22-8-3-7-21(14-22)26-24(28)19-6-2-9-23(13-19)32(29,30)27-20-10-11-20/h1-9,12-14,20,27H,10-11,16H2,(H,26,28)
InChIKeyZPRJHNMMVBGHSS-UHFFFAOYSA-N
XLogP3.83
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[3-[[3-(cyclopropylsulfamoyl)phenyl]carbamoyl]phenoxy]acetate
CID 55871864
3-cyano-N-[3-[(4-fluorophenyl)methoxy]phenyl]benzamide
CID 46594970
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
CID 108808703
6-chloro-N-[3-[(3-cyanophenyl)methoxy]phenyl]pyridine-3-carboxamide
CID 39001172
N-[3-[(3-cyanophenyl)methoxy]phenyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 39500774
N-(5-cyano-2-methoxyphenyl)-3-(cyclopropylsulfamoyl)benzamide
CID 49182841
3-(cyclopropylsulfamoyl)-N-(4-phenoxyphenyl)benzamide
CID 30858539
3-(cyclopropylsulfamoyl)-N-pyridin-4-ylbenzamide
CID 27700197
N-[3-[(3-cyanophenyl)methoxy]phenyl]pyrazine-2-carboxamide
CID 39501157
3-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoic acid
CID 1121769
N-[3-(cyclopropylsulfamoyl)phenyl]-3-fluorobenzamide
CID 17404523
3-(cyclopentylsulfamoyl)-N-[[3-[(4-fluorobenzoyl)amino]phenyl]methyl]benzamide
CID 55894287

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The IUPAC name of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide (CID 39499806) is N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The canonical SMILES for N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide is N#Cc1cccc(COc2cccc(NC(=O)c3cccc(S(=O)(=O)NC4CC4)c3)c2)c1.
What is the InChIKey of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide?
The InChIKey is ZPRJHNMMVBGHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c25-15-17-4-1-5-18(12-17)16-31-22-8-3-7-21(14-22)26-24(28)19-6-2-9-23(13-19)32(29,30)27-20-10-11-20/h1-9,12-14,20,27H,10-11,16H2,(H,26,28).
What are the key properties of N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide?
N-[3-[(3-cyanophenyl)methoxy]phenyl]-3-(cyclopropylsulfamoyl)benzamide has a molecular weight of 447.52 g/mol, XLogP of 3.83, 8 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-(cyclopropylsulfamoyl)benzamide is sourced from PubChem (CID 39499806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).