3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide

C22H23N3O3S — CID 122555553

IUPAC3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
SMILESCNS(=O)(=O)Nc1cc(-c2ccccc2CCC(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-24-29(27,28)25-21-15-18(11-13-20(21)16-7-3-2-4-8-16)19-10-6-5-9-17(19)12-14-22(23)26/h2-11,13,15,24-25H,12,14H2,1H3,(H2,23,26)
InChIKeyXTAYMQANODKJOQ-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.31
Rot. Bonds8

About 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide

3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide (PubChem CID 122555553) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
PubChem CID122555553
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide
SMILESCNS(=O)(=O)Nc1cc(-c2ccccc2CCC(N)=O)ccc1-c1ccccc1
InChIInChI=1S/C22H23N3O3S/c1-24-29(27,28)25-21-15-18(11-13-20(21)16-7-3-2-4-8-16)19-10-6-5-9-17(19)12-14-22(23)26/h2-11,13,15,24-25H,12,14H2,1H3,(H2,23,26)
InChIKeyXTAYMQANODKJOQ-UHFFFAOYSA-N
XLogP3.31
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-methylphenyl)phenyl]propanamide
CID 155236567
3-[2-[3,5-bis(methanesulfonamido)phenyl]-5-phenylphenyl]propanamide
CID 122555523
N-(methylsulfamoyl)-2-phenylaniline
CID 19906873
3-[2-methyl-3-(4-phenylphenyl)phenyl]propanamide
CID 67666243
methanesulfonic acid;2-(2-phenylphenyl)ethanol
CID 87871544
3-[5-(4-fluorophenyl)-2-[3-(methanesulfonamido)phenyl]phenyl]propanamide
CID 134208765
3-[2-[3-[[hydroxy(methoxy)methyl]amino]phenyl]-5-phenylphenyl]propanamide
CID 139454444
(2-phenylphenyl)methylurea
CID 67020414
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
3-[2-[7-[2-(2-carboxyethyl)phenyl]-10-ethylidene-9-oxoanthracen-2-yl]phenyl]propanoic acid
CID 121306782
2-methylidene-4-(2-phenylphenyl)butanoic acid
CID 90170002
3-[2-(3-hydroxyphenyl)-5-(4-methylthiophen-3-yl)phenyl]propanamide
CID 134229810

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide?
The IUPAC name of 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide (CID 122555553) is 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide.
What is the SMILES notation for 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide?
The canonical SMILES for 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide is CNS(=O)(=O)Nc1cc(-c2ccccc2CCC(N)=O)ccc1-c1ccccc1.
What is the InChIKey of 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide?
The InChIKey is XTAYMQANODKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-24-29(27,28)25-21-15-18(11-13-20(21)16-7-3-2-4-8-16)19-10-6-5-9-17(19)12-14-22(23)26/h2-11,13,15,24-25H,12,14H2,1H3,(H2,23,26).
What are the key properties of 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide?
3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(methylsulfamoylamino)-4-phenylphenyl]phenyl]propanamide is sourced from PubChem (CID 122555553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).