N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide

C25H19N3O4S — CID 108757692

IUPACN-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O4S/c1-33(30,31)28-20-14-12-19(13-15-20)24(29)27-25-21(16-26)22(17-8-4-2-5-9-17)23(32-25)18-10-6-3-7-11-18/h2-15,28H,1H3,(H,27,29)
InChIKeyMHPGHNZGRRTMAQ-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.11
Rot. Bonds6

About N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide (PubChem CID 108757692) has the molecular formula C25H19N3O4S and a molecular weight of 457.51 g/mol. Its IUPAC name is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
PubChem CID108757692
Molecular FormulaC25H19N3O4S
Molecular Weight457.51 g/mol
Exact Mass457.11
IUPAC NameN-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
InChIInChI=1S/C25H19N3O4S/c1-33(30,31)28-20-14-12-19(13-15-20)24(29)27-25-21(16-26)22(17-8-4-2-5-9-17)23(32-25)18-10-6-3-7-11-18/h2-15,28H,1H3,(H,27,29)
InChIKeyMHPGHNZGRRTMAQ-UHFFFAOYSA-N
XLogP5.11
TPSA112.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-cyano-4,5-diphenylfuran-2-yl)methanesulfonamide
CID 108781743
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
N-(3-cyano-4,5-diphenylfuran-2-yl)-3-methoxybenzamide
CID 18846752
4-chloro-N-[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl]benzamide
CID 108757677
2-bromo-N-(3-cyano-4,5-diphenylfuran-2-yl)propanamide
CID 108757660
2-chloro-N-(3-cyano-4,5-diphenylfuran-2-yl)acetamide
CID 3550941
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 1102939
N-(3-cyano-4,5-diphenylfuran-2-yl)-2-phenylsulfanylacetamide
CID 2234351
[2-[(3-cyano-4,5-diphenylfuran-2-yl)amino]-2-oxoethyl] 4-methoxybenzoate
CID 23993962
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,4-dinitrobenzamide
CID 23875644
N-[3-[(3-cyano-4,5-diphenylfuran-2-yl)iminomethyl]phenyl]-4-methylbenzamide
CID 23941523

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide?
The IUPAC name of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide (CID 108757692) is N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1.
What is the InChIKey of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide?
The InChIKey is MHPGHNZGRRTMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4S/c1-33(30,31)28-20-14-12-19(13-15-20)24(29)27-25-21(16-26)22(17-8-4-2-5-9-17)23(32-25)18-10-6-3-7-11-18/h2-15,28H,1H3,(H,27,29).
What are the key properties of N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide?
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide has a molecular weight of 457.51 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-diphenylfuran-2-yl)-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 108757692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).