2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide

C25H23N3O3S — CID 100787409

IUPAC2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-28(32(30,31)23-5-3-2-4-6-23)22-13-7-19(8-14-22)17-24(29)27-21-11-9-20(10-12-21)25(18-26)15-16-25/h2-14H,15-17H2,1H3,(H,27,29)
InChIKeyHJNLFMWSOHWOFI-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.25
Rot. Bonds7

About 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide (PubChem CID 100787409) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
PubChem CID100787409
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
SMILESCN(c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H23N3O3S/c1-28(32(30,31)23-5-3-2-4-6-23)22-13-7-19(8-14-22)17-24(29)27-21-11-9-20(10-12-21)25(18-26)15-16-25/h2-14H,15-17H2,1H3,(H,27,29)
InChIKeyHJNLFMWSOHWOFI-UHFFFAOYSA-N
XLogP4.25
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
2-[4-[[2-[4-[benzenesulfonyl(methyl)amino]phenyl]acetyl]amino]phenyl]acetamide
CID 100787401
N-[4-(1-cyanocyclopropyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395806
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-propan-2-ylphenyl)acetamide
CID 100787598
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100792366
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100790630
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2-fluorophenyl)acetamide
CID 100787608
N-(4-ethylphenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100788011
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide
CID 100793886
N-(3-cyanophenyl)-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 100787848
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(2,2-dimethylpropyl)acetamide
CID 100787443

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The IUPAC name of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide (CID 100787409) is 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide is CN(c1ccc(CC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
The InChIKey is HJNLFMWSOHWOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-28(32(30,31)23-5-3-2-4-6-23)22-13-7-19(8-14-22)17-24(29)27-21-11-9-20(10-12-21)25(18-26)15-16-25/h2-14H,15-17H2,1H3,(H,27,29).
What are the key properties of 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide?
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide has a molecular weight of 445.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[4-(1-cyanocyclopropyl)phenyl]acetamide is sourced from PubChem (CID 100787409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).