3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide

C25H27N3O3S — CID 56991767

IUPAC3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide
SMILESCCCCC(C)(c1ccc(C#N)cc1)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C25H27N3O3S/c1-3-4-15-25(2,21-12-9-18(17-26)10-13-21)23(24(27)29)28-32(30,31)22-14-11-19-7-5-6-8-20(19)16-22/h5-14,16,23,28H,3-4,15H2,1-2H3,(H2,27,29)
InChIKeyZEAVFHNOPXZCGJ-UHFFFAOYSA-N
MW449.58 g/mol
LogP3.99
Rot. Bonds9

About 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide

3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide (PubChem CID 56991767) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide.

Molecular Properties

Compound Name3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide
PubChem CID56991767
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide
SMILESCCCCC(C)(c1ccc(C#N)cc1)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O
InChIInChI=1S/C25H27N3O3S/c1-3-4-15-25(2,21-12-9-18(17-26)10-13-21)23(24(27)29)28-32(30,31)22-14-11-19-7-5-6-8-20(19)16-22/h5-14,16,23,28H,3-4,15H2,1-2H3,(H2,27,29)
InChIKeyZEAVFHNOPXZCGJ-UHFFFAOYSA-N
XLogP3.99
TPSA113.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide?
The IUPAC name of 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide (CID 56991767) is 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide.
What is the SMILES notation for 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide?
The canonical SMILES for 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide is CCCCC(C)(c1ccc(C#N)cc1)C(NS(=O)(=O)c1ccc2ccccc2c1)C(N)=O.
What is the InChIKey of 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide?
The InChIKey is ZEAVFHNOPXZCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-3-4-15-25(2,21-12-9-18(17-26)10-13-21)23(24(27)29)28-32(30,31)22-14-11-19-7-5-6-8-20(19)16-22/h5-14,16,23,28H,3-4,15H2,1-2H3,(H2,27,29).
What are the key properties of 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide?
3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide has a molecular weight of 449.58 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenyl)-3-methyl-2-(naphthalen-2-ylsulfonylamino)heptanamide is sourced from PubChem (CID 56991767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).