N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C25H23N3O3S — CID 46465417

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-19-9-12-21(18-24(19)27-32(30,31)23-7-3-2-4-8-23)26-25(29)17-20-10-13-22(14-11-20)28-15-5-6-16-28/h2-16,18,27H,17H2,1H3,(H,26,29)
InChIKeyPOPFCJZGWKBYAE-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.77
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 46465417) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID46465417
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-19-9-12-21(18-24(19)27-32(30,31)23-7-3-2-4-8-23)26-25(29)17-20-10-13-22(14-11-20)28-15-5-6-16-28/h2-16,18,27H,17H2,1H3,(H,26,29)
InChIKeyPOPFCJZGWKBYAE-UHFFFAOYSA-N
XLogP4.77
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55705641
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-phenylacetamide
CID 22306588
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 3450934
4-methyl-N-(2-methyl-5-pyrrol-1-ylphenyl)benzenesulfonamide
CID 46242018
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-[2-[5-(benzenesulfonamido)-2-methylanilino]-2-oxoethyl]-methylboronamidic acid
CID 21364805
(2S)-2-amino-N-[3-(benzenesulfonamido)-4-methylphenyl]-3-methylbutanamide
CID 119282611
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 46478145
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-methylpyrazole-4-carboxamide
CID 86991515
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55839751
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-[3-(benzenesulfonamido)-4-methylphenyl]-N'-(2-cyanoethyl)-N'-phenylbutanediamide
CID 56505302

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 46465417) is N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is POPFCJZGWKBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-19-9-12-21(18-24(19)27-32(30,31)23-7-3-2-4-8-23)26-25(29)17-20-10-13-22(14-11-20)28-15-5-6-16-28/h2-16,18,27H,17H2,1H3,(H,26,29).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 46465417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).