3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide

C23H25N3O5S2 — CID 122555523

IUPAC3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1
InChIInChI=1S/C23H25N3O5S2/c1-32(28,29)25-20-13-19(14-21(15-20)26-33(2,30)31)22-10-8-17(16-6-4-3-5-7-16)12-18(22)9-11-23(24)27/h3-8,10,12-15,25-26H,9,11H2,1-2H3,(H2,24,27)
InChIKeyFDHMQRGXHROYEL-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.18
Rot. Bonds9

About 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide

3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide (PubChem CID 122555523) has the molecular formula C23H25N3O5S2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
PubChem CID122555523
Molecular FormulaC23H25N3O5S2
Molecular Weight487.60 g/mol
Exact Mass487.12
IUPAC Name3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
SMILESCS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1
InChIInChI=1S/C23H25N3O5S2/c1-32(28,29)25-20-13-19(14-21(15-20)26-33(2,30)31)22-10-8-17(16-6-4-3-5-7-16)12-18(22)9-11-23(24)27/h3-8,10,12-15,25-26H,9,11H2,1-2H3,(H2,24,27)
InChIKeyFDHMQRGXHROYEL-UHFFFAOYSA-N
XLogP3.18
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
CID 134208765
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-pyrimidin-5-ylphenyl]propanamide
CID 134208666
3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
CID 139454444
3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
CID 122555553
3-[2-(2,4-difluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122555577
3-[2-(2-oxo-3H-1,3-benzothiazol-5-yl)-5-phenylphenyl]propanamide
CID 122555560
CID 159681351
CID 159681351
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810
3-[5-(furan-3-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539333
3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
N-[3-(methanesulfonamido)phenyl]-3-phenylbenzamide
CID 169152254

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide?
The IUPAC name of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide (CID 122555523) is 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide.
What is the SMILES notation for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide?
The canonical SMILES for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide is CS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2ccc(-c3ccccc3)cc2CCC(N)=O)c1.
What is the InChIKey of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide?
The InChIKey is FDHMQRGXHROYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S2/c1-32(28,29)25-20-13-19(14-21(15-20)26-33(2,30)31)22-10-8-17(16-6-4-3-5-7-16)12-18(22)9-11-23(24)27/h3-8,10,12-15,25-26H,9,11H2,1-2H3,(H2,24,27).
What are the key properties of 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide?
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide has a molecular weight of 487.60 g/mol, XLogP of 3.18, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide is sourced from PubChem (CID 122555523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).